New Database Available - Released on 11/08/2026.
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molecules
Showing 151 to 180 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Skatole 83-34-1 Monomolecular 6736 ZFRKQXVRDFCRJG-UHFFFAOYSA-N CC1=CNC2=CC=CC=C12
Carvone, (+)- 2244-16-8 Monomolecular 16724 ULDHMXUKGWMISQ-VIFPVBQESA-N CC1=CC[C@@H](CC1=O)C(=C)C
Heptanal 111-71-7 Monomolecular 8130 FXHGMKSSBGDXIY-UHFFFAOYSA-N CCCCCCC=O
2-Ethylphenol 90-00-6 Monomolecular 6997 IXQGCWUGDFDQMF-UHFFFAOYSA-N CCC1=CC=CC=C1O
1-Hexen-3-Ol 4798-44-1 Sum of Isomers 20928 BVOSSZSHBZQJOI-UHFFFAOYSA-N CCCC(C=C)O
Heptane 142-82-5 Monomolecular 8900 IMNFDUFMRHMDMM-UHFFFAOYSA-N CCCCCCC
Geranylacetone 3796-70-1 Monomolecular 1549778 HNZUNIKWNYHEJJ-FMIVXFBMSA-N CC(=CCC/C(=C/CCC(=O)C)/C)C
Tetradecane 629-59-4 Monomolecular 12389 BGHCVCJVXZWKCC-UHFFFAOYSA-N CCCCCCCCCCCCCC
Camphor 76-22-2 Sum of Isomers 2537 DSSYKIVIOFKYAU-UHFFFAOYSA-N CC1(C2CCC1(C(=O)C2)C)C
Decanoic Acid 334-48-5 Monomolecular 2969 GHVNFZFCNZKVNT-UHFFFAOYSA-N CCCCCCCCCC(=O)O
1-Ethyl-2-Methylbenzene 611-14-3 Monomolecular 11903 HYFLWBNQFMXCPA-UHFFFAOYSA-N CCC1=CC=CC=C1C
Palmitic Acid 57-10-3 Monomolecular 985 IPCSVZSSVZVIGE-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)O
L-Lactic Acid 79-33-4 Monomolecular 107689 JVTAAEKCZFNVCJ-REOHCLBHSA-N C[C@@H](C(=O)O)O
Lauric Acid 143-07-7 Monomolecular 3893 POULHZVOKOAJMA-UHFFFAOYSA-N CCCCCCCCCCCC(=O)O
Phenoxyethanol 122-99-6 Monomolecular 31236 QCDWFXQBSFUVSP-UHFFFAOYSA-N C1=CC=C(C=C1)OCCO
Diacetone Alcohol 123-42-2 Monomolecular 31256 SWXVUIWOUIDPGS-UHFFFAOYSA-N CC(=O)CC(C)(C)O
Myristic Acid 544-63-8 Monomolecular 11005 TUNFSRHWOTWDNC-UHFFFAOYSA-N CCCCCCCCCCCCCC(=O)O
M-Cresol 108-39-4 Monomolecular 342 RLSSMJSEOOYNOY-UHFFFAOYSA-N CC1=CC(=CC=C1)O
2,4,5-Trimethylthiazole 13623-11-5 Monomolecular 61653 BAMPVSWRQZNDQC-UHFFFAOYSA-N CC1=C(SC(=N1)C)C
2-Isobutylthiazole 18640-74-9 Monomolecular 62725 CMPVUVUNJQERIT-UHFFFAOYSA-N CC(C)CC1=NC=CS1
4-Methylthiazole 693-95-8 Monomolecular 12748 QMHIMXFNBOYPND-UHFFFAOYSA-N CC1=CSC=N1
Thiazole 288-47-1 Monomolecular 9256 FZWLAAWBMGSTSO-UHFFFAOYSA-N C1=CSC=N1
4-Methoxystyrene 637-69-4 Monomolecular 12507 UAJRSHJHFRVGMG-UHFFFAOYSA-N COC1=CC=C(C=C1)C=C
Tridecanoic acid 638-53-9 Monomolecular 12530 SZHOJFHSIKHZHA-UHFFFAOYSA-N CCCCCCCCCCCCC(=O)O
2-Oxobutanoic Acid 600-18-0 Monomolecular 58 TYEYBOSBBBHJIV-UHFFFAOYSA-N CCC(=O)C(=O)O
Methyl o-toluate 89-71-4 Monomolecular 33094 WVWZECQNFWFVFW-UHFFFAOYSA-N CC1=CC=CC=C1C(=O)OC
2-Acetylthiophene 88-15-3 Monomolecular 6920 WYJOVVXUZNRJQY-UHFFFAOYSA-N CC(=O)C1=CC=CS1
2-Ethoxythiazole 15679-19-3 Monomolecular 61809 NDUWJHRKDYXRAD-UHFFFAOYSA-N CCOC1=NC=CS1
1-Hepten-3-OL 4938-52-7 Sum of Isomers 21057 PZKFYTOLVRCMOA-UHFFFAOYSA-N CCCCC(C=C)O
2-Cyclohexen-1-ol, 3-methyl- 21378-21-2 Sum of Isomers 89487 XNDZQQSKSQTQQD-UHFFFAOYSA-N CC1=CC(CCC1)O
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