New Database Available - Released on 11/08/2026.
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molecules
Showing 301 to 330 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Alpha-Terpineol 98-55-5 Sum of Isomers 17100 WUOACPNHFRMFPN-UHFFFAOYSA-N CC1=CCC(CC1)C(C)(C)O
2-Heptanol 543-49-7 Sum of Isomers 10976 CETWDUZRCINIHU-UHFFFAOYSA-N CCCCCC(C)O
2-Ethylhexyl Acetate 103-09-3 Sum of Isomers 7635 WOYWLLHHWAMFCB-UHFFFAOYSA-N CCCCC(CC)COC(=O)C
Ethyl Dodecanoate 106-33-2 Monomolecular 7800 MMXKVMNBHPAILY-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OCC
Ethyl ketone 96-22-0 Monomolecular 7288 FDPIMTJIUBPUKL-UHFFFAOYSA-N CCC(=O)CC
Cinnamaldehyde 104-55-2 Monomolecular 637511 KJPRLNWUNMBNBZ-QPJJXVBHSA-N C1=CC=C(C=C1)/C=C/C=O
2-methylthioadenosine triphosphate tetrasodium 43170-89-4 Sum of Isomers 1582 XNOBOKJVOTYSJV-UHFFFAOYSA-N CSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(= ...
Ipsdienol 35628-00-3 Monomolecular 92301 NHMKYUHMPXBMFI-SNVBAGLBSA-N CC(=C[C@H](CC(=C)C=C)O)C
(-)-4-terpineol 20126-76-5 Monomolecular 5325830 WRYLYDPHFGVWKC-JTQLQIEISA-N CC1=CC[C@](CC1)(C(C)C)O
Grandisol 26532-22-9 Monomolecular 169202 SJKPJXGGNKMRPD-VHSXEESVSA-N CC(=C)[C@@H]1CC[C@]1(C)CCO
Dodecane 112-40-3 Monomolecular 8182 SNRUBQQJIBEYMU-UHFFFAOYSA-N CCCCCCCCCCCC
Hexadecane 544-76-3 Monomolecular 11006 DCAYPVUWAIABOU-UHFFFAOYSA-N CCCCCCCCCCCCCCCC
Bombykol 765-17-3 Monomolecular 445128 CIVIWCVVOFNUST-SCFJQAPRSA-N CCC/C=C\C=C\CCCCCCCCCO
1,5-hexadien-3-ol 924-41-4 Sum of Isomers 79122 SZYLTIUVWARXOO-UHFFFAOYSA-N C=CCC(C=C)O
3-hexenyl acetate, (3E)-, cis-3-hexenyl acetate 3681-82-1, 3681-71-8 Mixture 5352557 and 5363388 NPFVOOAXDOBMCE-SNAWJCMRSA-N, NPFVOOAXDOBMCE-PLNGDY ... CC/C=C/CCOC(=O)C, CC/C=C\CCOC(=O)C
Henkel100 N.A. Mixture Henkel100 N.A. N.A.
Trans-jasmone 6261-18-3 Monomolecular 1549019 XMLSXPIVAXONDL-SNAWJCMRSA-N CC/C=C/CC1=C(CCC1=O)C
Dihydrojasmone 1128-08-1 Monomolecular 62378 YCIXWYOBMVNGTB-UHFFFAOYSA-N CCCCCC1=C(CCC1=O)C
2-pentyl-2-cyclopenten-1-one 25564-22-1 Monomolecular 117549 ILHZVKAXFCDFMT-UHFFFAOYSA-N CCCCCC1=CCCC1=O
2-pentylcyclopentan-1-one 4819-67-4 Sum of Isomers 20959 VNWOJVJCRAHBJJ-UHFFFAOYSA-N CCCCCC1CCCC1=O
3-methyl-2-cyclopenten-1-one 2758-18-1 Monomolecular 17691 CHCCBPDEADMNCI-UHFFFAOYSA-N CC1=CC(=O)CC1
Cyclopentanone 120-92-3 Monomolecular 8452 BGTOWKSIORTVQH-UHFFFAOYSA-N C1CCC(=O)C1
Cis-vaccenyl acetate 6186-98-7 Monomolecular 5363286 QSZKEDWVAOAFQY-HJWRWDBZSA-N CCCCCC/C=C\CCCCCCCCCCOC(=O)C
Cis-vaccenic acid 506-17-2 Monomolecular 5282761 UWHZIFQPPBDJPM-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCCCC(=O)O
Cis-11-octadecenol 62972-93-4 Monomolecular 11821627 XMLQWXUVTXCDDL-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCCCCO
Oleyl acetate 693-80-1 Monomolecular 5363289 GYGAZRPDUOHMAF-KHPPLWFESA-N CCCCCCCC/C=C\CCCCCCCCOC(=O)C
Oleyl alcohol 143-28-2 Monomolecular 5284499 ALSTYHKOOCGGFT-KTKRTIGZSA-N CCCCCCCC/C=C\CCCCCCCCO
Methyl vaccenate 6198-58-9 Monomolecular 5364432 PVVODBCDJBGMJL-CMDGGOBGSA-N CCCCCC/C=C/CCCCCCCCCC(=O)OC
2,6,6,9-tetramethylcycloundeca-1,4,8-triene 6753-98-6 Sum of Isomers 23204 FAMPSKZZVDUYOS-UHFFFAOYSA-N CC1=CCC(C=CCC(=CCC1)C)(C)C
1-chlorohexane 544-10-5 Monomolecular 10992 MLRVZFYXUZQSRU-UHFFFAOYSA-N CCCCCCCl
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