New Database Available - Released on 11/08/2026.
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molecules
Showing 481 to 510 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
2'-Hydroxypropiophenone 610-99-1 Monomolecular 69133 KDUWXMIHHIVXER-UHFFFAOYSA-N CCC(=O)C1=CC=CC=C1O
Squalane 111-01-3 Sum of Isomers 8089 PRAKJMSDJKAYCZ-UHFFFAOYSA-N CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C ...
Squalene 111-02-4 Monomolecular 638072 YYGNTYWPHWGJRM-AAJYLUCBSA-N CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC ...
Tetradecanal 124-25-4 Monomolecular 31291 UHUFTBALEZWWIH-UHFFFAOYSA-N CCCCCCCCCCCCCC=O
Triacetin 102-76-1 Monomolecular 5541 URAYPUMNDPQOKB-UHFFFAOYSA-N CC(=O)OCC(COC(=O)C)OC(=O)C
Vanillin 121-33-5 Monomolecular 1183 MWOOGOJBHIARFG-UHFFFAOYSA-N COC1=C(C=CC(=C1)C=O)O
4-Hepten-1-ol, (4Z)- 6191-71-5 Monomolecular 5367536 CUKAXHVLXKIPKF-ARJAWSKDSA-N CC/C=C\CCCO
beta-Cyclocitral 432-25-7 Monomolecular 9895 MOQGCGNUWBPGTQ-UHFFFAOYSA-N CC1=C(C(CCC1)(C)C)C=O
Methyl propionate 554-12-1 Monomolecular 11124 RJUFJBKOKNCXHH-UHFFFAOYSA-N CCC(=O)OC
Carvone, (-)- 6485-40-1 Monomolecular 439570 ULDHMXUKGWMISQ-SECBINFHSA-N CC1=CC[C@H](CC1=O)C(=C)C
Androstenol 1153-51-1 Monomolecular 101989 KRVXMNNRSSQZJP-PHFHYRSDSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@ ...
Ammonia 7664-41-7 Monomolecular 222 QGZKDVFQNNGYKY-UHFFFAOYSA-N N
(+)-Fenchone 4695-62-9 Monomolecular 1201521 LHXDLQBQYFFVNW-XCBNKYQSSA-N C[C@]12CC[C@H](C1)C(C2=O)(C)C
2-Propylphenol 644-35-9 Monomolecular 12570 LCHYEKKJCUJAKN-UHFFFAOYSA-N CCCC1=CC=CC=C1O
(-)-Fenchone 7787-20-4 Monomolecular 82229 LHXDLQBQYFFVNW-OIBJUYFYSA-N C[C@@]12CC[C@@H](C1)C(C2=O)(C)C
1-Chlorododecane 112-52-7 Monomolecular 8192 YAYNEUUHHLGGAH-UHFFFAOYSA-N CCCCCCCCCCCCCl
2-Oxohexanoic Acid 2492-75-3 Monomolecular 159664 XNIHZNNZJHYHLC-UHFFFAOYSA-N CCCCC(=O)C(=O)O
Nerylacetone 3879-26-3 Monomolecular 1713001 HNZUNIKWNYHEJJ-XFXZXTDPSA-N CC(=CCC/C(=C\CCC(=O)C)/C)C
9-Octadecenoic Acid 2027-47-6 Sum of Isomers 965 ZQPPMHVWECSIRJ-UHFFFAOYSA-N CCCCCCCCC=CCCCCCCCC(=O)O
Stearic Acid 57-11-4 Monomolecular 5281 QIQXTHQIDYTFRH-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCC(=O)O
7-Octenoic acid 18719-24-9 Monomolecular 543977 OZYYQTRHHXLTKX-UHFFFAOYSA-N C=CCCCCCC(=O)O
Androstenone 18339-16-7 Monomolecular 6852393 HFVMLYAGWXSTQI-QYXZOKGRSA-N C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@ ...
Ethyl valerate 539-82-2 Monomolecular 10882 ICMAFTSLXCXHRK-UHFFFAOYSA-N CCCCC(=O)OCC
3-Ethylphenol 620-17-7 Monomolecular 12101 HMNKTRSOROOSPP-UHFFFAOYSA-N CCC1=CC(=CC=C1)O
4-Methyl-2-nitrophenol 119-33-5 Monomolecular 8391 SYDNSSSQVSOXTN-UHFFFAOYSA-N CC1=CC(=C(C=C1)O)[N+](=O)[O-]
Hexane 110-54-3 Monomolecular 8058 VLKZOEOYAKHREP-UHFFFAOYSA-N CCCCCC
Isoeugenol 97-54-1 Monomolecular 853433 BJIOGJUNALELMI-ONEGZZNKSA-N C/C=C/C1=CC(=C(C=C1)O)OC
Methylparaben 99-76-3 Monomolecular 7456 LXCFILQKKLGQFO-UHFFFAOYSA-N COC(=O)C1=CC=C(C=C1)O
6-Octenal, 3,7-dimethyl-, (3R)- 2385-77-5 Monomolecular 75427 NEHNMFOYXAPHSD-SNVBAGLBSA-N C[C@H](CCC=C(C)C)CC=O
Ethyl 2-methylbutyrate 7452-79-1 Sum of Isomers 24020 HCRBXQFHJMCTLF-UHFFFAOYSA-N CCC(C)C(=O)OCC
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