New Database Available - Released on 11/08/2026.
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molecules
Showing 211 to 240 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2-aHexen-a1-aol 928-94-9 Sum of Isomers 13577 ZCHHRLHTBGRGOT-UHFFFAOYSA-N CCCC=CCO
2-Hexen-1-ol, 1-acetate 10094-40-3 Sum of Isomers 17243 HRHOWZHRCRZVCU-UHFFFAOYSA-N CCCC=CCOC(=O)C
Verbenol 473-67-6 Sum of Isomers 61126 WONIGEXYPVIKFS-UHFFFAOYSA-N CC1=CC(C2CC1C2(C)C)O
Lead diacetate 301-04-2 Monomolecular 9317 GUWSLQUAAYEZAF-UHFFFAOYSA-L CC(=O)[O-].CC(=O)[O-].[Pb+2]
1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one 153587-01-0 Monomolecular 4552 YLFMCMWKHSDUCT-UHFFFAOYSA-N C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC( ...
Propyphenazone 479-92-5 Monomolecular 3778 PXWLVJLKJGVOKE-UHFFFAOYSA-N CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C
3,7,11-Trimethyl-1,3,6,10-dodecatetraene 125037-13-0 Sum of Isomers 442368 CXENHBSYCFFKJS-UHFFFAOYSA-N CC(=CCCC(=CCC=C(C)C=C)C)C
3,7-Dimethyl-2,6-octadienol 68311-14-8 Sum of Isomers 4458 GLZPCOQZEFWAFX-UHFFFAOYSA-N CC(=CCCC(=CCO)C)C
3,7-Dimethylocta-2,6-dienyl acetate 16409-44-2 Sum of Isomers 7780 HIGQPQRQIQDZMP-UHFFFAOYSA-N CC(=CCCC(=CCOC(=O)C)C)C
2-Cyclopenten-1-one, 3-methyl-2-(2Z)-2-pentenyl- 68043-00-5 Sum of Isomers 10261 XMLSXPIVAXONDL-UHFFFAOYSA-N CCC=CCC1=C(CCC1=O)C
Beta-citronellol, (S)- 7540-51-4 Monomolecular 7793 QMVPMAAFGQKVCJ-JTQLQIEISA-N C[C@@H](CCC=C(C)C)CCO
Carvone, (+-)- 99-49-0 Sum of Isomers 7439 ULDHMXUKGWMISQ-UHFFFAOYSA-N CC1=CCC(CC1=O)C(=C)C
Camphene 79-92-5 Sum of Isomers 6616 CRPUJAZIXJMDBK-UHFFFAOYSA-N CC1(C2CCC(C2)C1=C)C
1,4-Diethylbenzene 105-05-5 Monomolecular 7734 DSNHSQKRULAAEI-UHFFFAOYSA-N CCC1=CC=C(C=C1)CC
Tridecane 629-50-5 Monomolecular 12388 IIYFAKIEWZDVMP-UHFFFAOYSA-N CCCCCCCCCCCCC
(Z,E)-9,12-tetradecadienyl acetate 30507-70-1 Monomolecular 5365642 ZZGJZGSVLNSDPG-FDTUMDBZSA-N C/C=C/C/C=C\CCCCCCCCOC(=O)C
Myristoleyl alcohol 35153-15-2 Monomolecular 5364712 GSAAJQNJNPBBSX-WAYWQWQTSA-N CCCC/C=C\CCCCCCCCO
Prodlure 50767-79-8 Monomolecular 6441057 RFEQLTBBKNKGGJ-DEQVHDEQSA-N CC/C=C/C=C\CCCCCCCCOC(=O)C
(Z)-7-dodecenyl acetate 14959-86-5 Monomolecular 5363527 MUZGQHWTRUVFLG-SREVYHEPSA-N CCCC/C=C\CCCCCCOC(=O)C
(Z)-9-tetradecenyl acetate 16725-53-4 Monomolecular 5364714 XXPBOEBNDHAAQH-SREVYHEPSA-N CCCC/C=C\CCCCCCCCOC(=O)C
(11Z)-11-tetradecenyl acetate 20711-10-8 Monomolecular 5367692 YJINQJFQLQIYHX-PLNGDYQASA-N CC/C=C\CCCCCCCCCCOC(=O)C
(11E)-11-tetradecenyl acetate 33189-72-9 Monomolecular 5367650 YJINQJFQLQIYHX-SNAWJCMRSA-N CC/C=C/CCCCCCCCCCOC(=O)C
9,11-tetradecadien-1-ol, 1-acetate, (9Z,11Z)- 54664-97-0 Monomolecular 6437402 RFEQLTBBKNKGGJ-RZSVFLSASA-N CC/C=C\C=C/CCCCCCCCOC(=O)C
Decane 124-18-5 Monomolecular 15600 DIOQZVSQGTUSAI-UHFFFAOYSA-N CCCCCCCCCC
Heptacosane 593-49-7 Monomolecular 11636 BJQWYEJQWHSSCJ-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCC
Hexacosane 630-01-3 Monomolecular 12407 HMSWAIKSFDFLKN-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCC
Isophorone 78-59-1 Monomolecular 6544 HJOVHMDZYOCNQW-UHFFFAOYSA-N CC1=CC(=O)CC(C1)(C)C
Octacosane 630-02-4 Monomolecular 12408 ZYURHZPYMFLWSH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCCCCCCCCCCC
Octadecane 593-45-3 Monomolecular 11635 RZJRJXONCZWCBN-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC
Undecane 1120-21-4 Monomolecular 14257 RSJKGSCJYJTIGS-UHFFFAOYSA-N CCCCCCCCCCC
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