New Database Available - Released on 23/03/2024.
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molecules
Showing 331 to 360 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
Ethyl pentanoate mono 10882 ICMAFTSLXCXHRK-UHFFFAOYSA-N CCCCC(=O)OCC
Ethyl phenylacetate mono 7590 DULCUDSUACXJJC-UHFFFAOYSA-N CCOC(=O)CC1=CC=CC=C1
Ethylcyclohexanecarboxylate mono 18686 JJOYCHKVKWDMEA-UHFFFAOYSA-N CCOC(=O)C1CCCCC1
2-Furfurylthiol mono 7363 ZFFTZDQKIXPDAF-UHFFFAOYSA-N C1=COC(=C1)CS
Heptan-2-ol sum of isomers 10976 CETWDUZRCINIHU-UHFFFAOYSA-N CCCCCC(C)O
Hexyl acetate mono 8908 AOGQPLXWSUTHQB-UHFFFAOYSA-N CCCCCCOC(=O)C
Methyl 2-methylpropanoate mono 11039 BHIWKHZACMWKOJ-UHFFFAOYSA-N CC(C)C(=O)OC
Methyl butanoate mono 12180 UUIQMZJEGPQKFD-UHFFFAOYSA-N CCCC(=O)OC
Methyl propyl trisulfide mono 5319765 ZOYASYRPGHCQHW-UHFFFAOYSA-N CCCSSSC
Myrcene mono 31253 UAHWPYUMFXYFJY-UHFFFAOYSA-N CC(=CCCC(=C)C=C)C
Nonan-2-one mono 13187 VKCYHJWLYTUGCC-UHFFFAOYSA-N CCCCCCCC(=O)C
Pentan-2,3-dione mono 11747 TZMFJUDUGYTVRY-UHFFFAOYSA-N CCC(=O)C(=O)C
Propanal mono 527 NBBJYMSMWIIQGU-UHFFFAOYSA-N CCC=O
Thiophen-2-ylmethanethiol mono 80408 GCZQHDFWKVMZOE-UHFFFAOYSA-N C1=CSC(=C1)CS
methyl cinnamate mono 637520 CCRCUPLGCSFEDV-BQYQJAHWSA-N COC(=O)/C=C/C1=CC=CC=C1
Furfuryl Sulfide mono 61659 UYLKDZXJEKFFHJ-UHFFFAOYSA-N C1=COC(=C1)CSCC2=CC=CO2
Benzyl methyl disulfide mono 12779 NWYGPVZOBBHKLI-UHFFFAOYSA-N CSSCC1=CC=CC=C1
Furfuryl methyl disulfide mono 62131 CLSLQQCDHOZMDT-UHFFFAOYSA-N CSSCC1=CC=CO1
Benzyl methyl sulfide mono 13016 OFQPKKGMNWASPN-UHFFFAOYSA-N CSCC1=CC=CC=C1
1-Phenylethanethiol sum of isomers 141850 QZZBJCFNHPYNKO-UHFFFAOYSA-N CC(C1=CC=CC=C1)S
Benzyl mercaptan mono 7509 UENWRTRMUIOCKN-UHFFFAOYSA-N C1=CC=C(C=C1)CS
Furfuryl methyl sulfide mono 518937 SKSFHXVDHVKIBN-UHFFFAOYSA-N CSCC1=CC=CO1
3-Phenylpropanol mono 31234 VAJVDSVGBWFCLW-UHFFFAOYSA-N C1=CC=C(C=C1)CCCO
Furfuryl alcohol mono 7361 XPFVYQJUAUNWIW-UHFFFAOYSA-N C1=COC(=C1)CO
Benzyl alcohol mono 244 WVDDGKGOMKODPV-UHFFFAOYSA-N C1=CC=C(C=C1)CO
Furfural mono 7362 HYBBIBNJHNGZAN-UHFFFAOYSA-N C1=COC(=C1)C=O
2-Methylbutyl acetate sum of isomers 12209 XHIUFYZDQBSEMF-UHFFFAOYSA-N CCC(C)COC(=O)C
Whiskey lactone sum of isomers 62900 WNVCMFHPRIBNCW-UHFFFAOYSA-N CCCCC1C(CC(=O)O1)C
(E,Z)-2,6-Nonadienol mono 5320191 AMXYRHBJZOVHOL-DYWGDJMRSA-N CC/C=C/CC/C=C/CO
(R)-Limonene mono 440917 XMGQYMWWDOXHJM-JTQLQIEISA-N CC1=CC[C@@H](CC1)C(=C)C