New Database Available - Released on 29/09/2026.
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molecules
Showing 31 to 60 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Ethyl Acetate 141-78-6 Monomolecular 8857 XEKOWRVHYACXOJ-UHFFFAOYSA-N CCOC(=O)C
2-Ethylphenol 90-00-6 Monomolecular 6997 IXQGCWUGDFDQMF-UHFFFAOYSA-N CCC1=CC=CC=C1O
M-Cresol 108-39-4 Monomolecular 342 RLSSMJSEOOYNOY-UHFFFAOYSA-N CC1=CC(=CC=C1)O
Acetophenone 98-86-2 Monomolecular 7410 KWOLFJPFCHCOCG-UHFFFAOYSA-N CC(=O)C1=CC=CC=C1
Dimethyl Sulfide 75-18-3 Monomolecular 1068 QMMFVYPAHWMCMS-UHFFFAOYSA-N CSC
Propionic Acid 79-09-4 Monomolecular 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N CCC(=O)O
Methyl Ethyl Ketone 78-93-3 Monomolecular 6569 ZWEHNKRNPOVVGH-UHFFFAOYSA-N CCC(=O)C
2-Oxovaleric acid 1821-02-9 Monomolecular 74563 KDVFRMMRZOCFLS-UHFFFAOYSA-N CCCC(=O)C(=O)O
Thiazole 288-47-1 Monomolecular 9256 FZWLAAWBMGSTSO-UHFFFAOYSA-N C1=CSC=N1
Octanal 124-13-0 Monomolecular 454 NUJGJRNETVAIRJ-UHFFFAOYSA-N CCCCCCCC=O
2-Ethoxythiazole 15679-19-3 Monomolecular 61809 NDUWJHRKDYXRAD-UHFFFAOYSA-N CCOC1=NC=CS1
Ethyl formate 109-94-4 Monomolecular 8025 WBJINCZRORDGAQ-UHFFFAOYSA-N CCOC=O
2-Ethylhexanol 104-76-7 Sum of Isomers 7720 YIWUKEYIRIRTPP-UHFFFAOYSA-N CCCCC(CC)CO
Benzaldehyde 100-52-7 Monomolecular 240 HUMNYLRZRPPJDN-UHFFFAOYSA-N C1=CC=C(C=C1)C=O
Geranyl Acetate 105-87-3 Monomolecular 1549026 HIGQPQRQIQDZMP-DHZHZOJOSA-N CC(=CCC/C(=C/COC(=O)C)/C)C
Phenol 108-95-2 Monomolecular 996 ISWSIDIOOBJBQZ-UHFFFAOYSA-N C1=CC=C(C=C1)O
2,4,5-Trimethylthiazole 13623-11-5 Monomolecular 61653 BAMPVSWRQZNDQC-UHFFFAOYSA-N CC1=C(SC(=N1)C)C
Methyl propionate 554-12-1 Monomolecular 11124 RJUFJBKOKNCXHH-UHFFFAOYSA-N CCC(=O)OC
L-Lactic Acid 79-33-4 Monomolecular 107689 JVTAAEKCZFNVCJ-REOHCLBHSA-N C[C@@H](C(=O)O)O
2-Oxobutanoic Acid 600-18-0 Monomolecular 58 TYEYBOSBBBHJIV-UHFFFAOYSA-N CCC(=O)C(=O)O
2-Phenylethyl Acetate 103-45-7 Monomolecular 7654 MDHYEMXUFSJLGV-UHFFFAOYSA-N CC(=O)OCCC1=CC=CC=C1
Benzyl acetate 140-11-4 Monomolecular 8785 QUKGYYKBILRGFE-UHFFFAOYSA-N CC(=O)OCC1=CC=CC=C1
2-Acetylthiazole 24295-03-2 Monomolecular 520108 MOMFXATYAINJML-UHFFFAOYSA-N CC(=O)C1=NC=CS1
Carvone, (-)- 6485-40-1 Monomolecular 439570 ULDHMXUKGWMISQ-SECBINFHSA-N CC1=CC[C@H](CC1=O)C(=C)C
4-Methylcyclohexanol 589-91-3 Sum of Isomers 11524 MQWCXKGKQLNYQG-UHFFFAOYSA-N CC1CCC(CC1)O
Isobutyric Acid 79-31-2 Monomolecular 6590 KQNPFQTWMSNSAP-UHFFFAOYSA-N CC(C)C(=O)O
Hexanoic Acid 142-62-1 Monomolecular 8892 FUZZWVXGSFPDMH-UHFFFAOYSA-N CCCCCC(=O)O
Methyl o-toluate 89-71-4 Monomolecular 33094 WVWZECQNFWFVFW-UHFFFAOYSA-N CC1=CC=CC=C1C(=O)OC
2-Cyclohexen-1-ol, 3-methyl- 21378-21-2 Sum of Isomers 89487 XNDZQQSKSQTQQD-UHFFFAOYSA-N CC1=CC(CCC1)O
Ethyl hexanoate 123-66-0 Monomolecular 31265 SHZIWNPUGXLXDT-UHFFFAOYSA-N CCCCCC(=O)OCC
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