New Database Available - Released on 11/08/2026.
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molecules
Showing 271 to 300 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2-Methyl-6-methylene-2,7-octadien-4-ol 14434-41-4 Sum of Isomers 85734 NHMKYUHMPXBMFI-UHFFFAOYSA-N CC(=CC(CC(=C)C=C)O)C
2-Methyl-6-methylene-7-octen-4-ol 14314-21-7 Sum of Isomers 85712 RHAXCOKCIAVHPB-UHFFFAOYSA-N CC(C)CC(CC(=C)C=C)O
Isopinocamphone 14575-93-0 Monomolecular 84532 MQPHVIPKLRXGDJ-RNJXMRFFSA-N C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
Pinocamphone 547-60-4 Monomolecular 6427105 MQPHVIPKLRXGDJ-PRJMDXOYSA-N C[C@@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
Verbenol, (S)-trans- 19890-02-09 Monomolecular 88298 WONIGEXYPVIKFS-DJLDLDEBSA-N CC1=C[C@H]([C@H]2C[C@@H]1C2(C)C)O
2-Methyl-3-buten-2-ol 115-18-4 Monomolecular 8257 HNVRRHSXBLFLIG-UHFFFAOYSA-N CC(C)(C=C)O
3,4-Dimethoxytoluene 494-99-5 Monomolecular 68126 GYPMBQZAVBFUIZ-UHFFFAOYSA-N CC1=CC(=C(C=C1)OC)OC
3,7-Octadien-2-ol, 2-methyl-6-methylene-, (E)- 6994-89-4 Monomolecular 5363351 NOEQSPUVXRMJBW-SOFGYWHQSA-N CC(C)(/C=C/CC(=C)C=C)O
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 17015-29-1 Monomolecular 5319723 IEVYLQISZQFFGA-JXMROGBWSA-N C/C(=C\CCC(=C)C=C)/CO
Lanierone 28750-52-9 Monomolecular 642486 GKOBUKITZSFCJC-UHFFFAOYSA-N CC1=CC(C=C(C1=O)O)(C)C
Styrene 100-42-5 Monomolecular 7501 PPBRXRYQALVLMV-UHFFFAOYSA-N C=CC1=CC=CC=C1
Dimethyl Sulfoxide 67-68-5 Monomolecular 679 IAZDPXIOMUYVGZ-UHFFFAOYSA-N CS(=O)C
Pinocarvone, trans-(-)- 19890-00-7 Monomolecular 12314319 TZDMGBLPGZXHJI-JGVFFNPUSA-N CC1([C@H]2C[C@@H]1C(=C)C(=O)C2)C
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol 60894-97-5 Monomolecular 181296 NHMKYUHMPXBMFI-JTQLQIEISA-N CC(=C[C@@H](CC(=C)C=C)O)C
(5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane 68108-90-7 Monomolecular 155085 XNNASGSBOJGKAZ-IUCAKERBSA-N C[C@H]1CCC[C@]2(O1)CCCO2
Brevicomin 20290-99-7 Monomolecular 181255 YONXEBYXWVCXIV-HLTSFMKQSA-N CC[C@@H]1[C@H]2CCC[C@](O2)(O1)C
4-Methylanisole 104-93-8 Monomolecular 7731 CHLICZRVGGXEOD-UHFFFAOYSA-N CC1=CC=C(C=C1)OC
6,8-dioxabicyclo[3.2.1]octane, 1,5-dimethyl- 60478-96-8 Sum of Isomers 34235 AZWKCIZRVUVZPX-UHFFFAOYSA-N CC12CCCC(O1)(OC2)C
(2E)-3-Methyl-2-hexenoic acid 27960-21-0 Monomolecular 6443739 NTWSIWWJPQHFTO-AATRIKPKSA-N CCC/C(=C/C(=O)O)/C
Phenol 108-95-2 Monomolecular 996 ISWSIDIOOBJBQZ-UHFFFAOYSA-N C1=CC=C(C=C1)O
4-Vinylguaiacol 7786-61-0 Monomolecular 332 YOMSJEATGXXYPX-UHFFFAOYSA-N COC1=C(C=CC(=C1)C=C)O
Acetoin 513-86-0 Sum of Isomers 179 ROWKJAVDOGWPAT-UHFFFAOYSA-N CC(C(=O)C)O
gamma-Hexalactone 695-06-7 Sum of Isomers 12756 JBFHTYHTHYHCDJ-UHFFFAOYSA-N CCC1CCC(=O)O1
Glycerol 56-81-5 Monomolecular 753 PEDCQBHIVMGVHV-UHFFFAOYSA-N C(C(CO)O)O
Methyl hexanoate 106-70-7 Monomolecular 7824 NUKZAGXMHTUAFE-UHFFFAOYSA-N CCCCCC(=O)OC
Linoleic Acid 60-33-3 Monomolecular 5280450 OYHQOLUKZRVURQ-HZJYTTRNSA-N CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
Gamma-Butyrolactone 96-48-0 Monomolecular 7302 YEJRWHAVMIAJKC-UHFFFAOYSA-N C1CC(=O)OC1
1-Penten-3-Ol 616-25-1 Sum of Isomers 12020 VHVMXWZXFBOANQ-UHFFFAOYSA-N CCC(C=C)O
3-Methyl-2-buten-1-OL 556-82-1 Monomolecular 11173 ASUAYTHWZCLXAN-UHFFFAOYSA-N CC(=CCO)C
Beta-Elemene 515-13-9 Monomolecular 6918391 OPFTUNCRGUEPRZ-QLFBSQMISA-N CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C ...
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