New Database Available - Released on 02/10/2026.
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molecules
Showing 361 to 390 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Pentylamine 110-58-7 Monomolecular 8060 DPBLXKKOBLCELK-UHFFFAOYSA-N CCCCCN
Undecanoic Acid 112-37-8 Monomolecular 8180 ZDPHROOEEOARMN-UHFFFAOYSA-N CCCCCCCCCCC(=O)O
1-Octyn-3-ol 818-72-4 Sum of Isomers 13166 VUGRNZHKYVHZSN-UHFFFAOYSA-N CCCCCC(C#C)O
Methyl Palmitate 112-39-0 Monomolecular 8181 FLIACVVOZYBSBS-UHFFFAOYSA-N CCCCCCCCCCCCCCCC(=O)OC
Ethyl Oleate 111-62-6 Monomolecular 5363269 LVGKNOAMLMIIKO-QXMHVHEDSA-N CCCCCCCC/C=C\CCCCCCCC(=O)OCC
N,N-diethyl-m-toluamide 134-62-3 Monomolecular 4284 MMOXZBCLCQITDF-UHFFFAOYSA-N CCN(CC)C(=O)C1=CC=CC(=C1)C
Myrtenol, (-)- 19894-97-4 Monomolecular 88301 RXBQNMWIQKOSCS-IUCAKERBSA-N CC1([C@H]2CC=C([C@@H]1C2)CO)C
Ocimene 29714-87-2 Monomolecular 6434062 PMRMCTRIVCIICU-LQPGMRSMSA-N CC(C)/C=C/C=C(\C)/C=C
Cumene 98-82-8 Monomolecular 7406 RWGFKTVRMDUZSP-UHFFFAOYSA-N CC(C)C1=CC=CC=C1
Methyl 2-Methoxybenzoate 606-45-1 Monomolecular 61151 PFYHAAAQPNMZHO-UHFFFAOYSA-N COC1=CC=CC=C1C(=O)OC
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
6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl- 60478-96-8 Sum of Isomers 34235 AZWKCIZRVUVZPX-UHFFFAOYSA-N CC12CCCC(O1)(OC2)C
Hexenal 1335-39-3 Sum of Isomers 10460 MBDOYVRWFFCFHM-UHFFFAOYSA-N CCCC=CC=O
Butyl salicylate 2052-14-4 Monomolecular 16330 YFDUWSBGVPBWKF-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1O
Methylparaben 99-76-3 Monomolecular 7456 LXCFILQKKLGQFO-UHFFFAOYSA-N COC(=O)C1=CC=C(C=C1)O
Ammonia 7664-41-7 Monomolecular 222 QGZKDVFQNNGYKY-UHFFFAOYSA-N N
1-Octen-3-yl acetate 2442-10-6 Sum of Isomers 17121 DOJDQRFOTHOBEK-UHFFFAOYSA-N CCCCCC(C=C)OC(=O)C
trans-2-Methyl-2-butenal 497-03-0 Monomolecular 5321950 ACWQBUSCFPJUPN-HWKANZROSA-N C/C=C(\C)/C=O
P-Menthane-3,8-diol 42822-86-6 Sum of Isomers 556998 LMXFTMYMHGYJEI-UHFFFAOYSA-N CC1CCC(C(C1)O)C(C)(C)O
Heptyl acetate 112-06-1 Monomolecular 8159 ZCZSIDMEHXZRLG-UHFFFAOYSA-N CCCCCCCOC(=O)C
Ethyl Lactate 97-64-3 Sum of Isomers 7344 LZCLXQDLBQLTDK-UHFFFAOYSA-N CCOC(=O)C(C)O
Ethyl phenylacetate 101-97-3 Monomolecular 7590 DULCUDSUACXJJC-UHFFFAOYSA-N CCOC(=O)CC1=CC=CC=C1
Octadecyl acetate 822-23-1 Monomolecular 69968 OIZXRZCQJDXPFO-UHFFFAOYSA-N CCCCCCCCCCCCCCCCCCOC(=O)C
Undecanal 112-44-7 Monomolecular 8186 KMPQYAYAQWNLME-UHFFFAOYSA-N CCCCCCCCCCC=O
8-Undecenal, (8Z)- 147159-49-7 Monomolecular 6436710 DWQXOILNGUCNSH-ARJAWSKDSA-N CC/C=C\CCCCCCC=O
2-Heptenal 2463-63-0 Monomolecular 5283316 NDFKTBCGKNOHPJ-AATRIKPKSA-N CCCC/C=C/C=O
2-Nonenal 2463-53-8 Monomolecular 5283335 BSAIUMLZVGUGKX-BQYQJAHWSA-N CCCCCC/C=C/C=O
5-Methyl-2-hexanone 110-12-3 Monomolecular 8034 FFWSICBKRCICMR-UHFFFAOYSA-N CC(C)CCC(=O)C
2,3-Dimethyl-5-(2-methylpropyl)pyrazine 54410-83-2 Monomolecular 528108 HPAYBTQBMQPWCN-UHFFFAOYSA-N CC1=NC=C(N=C1C)CC(C)C
5-Hexenoic Acid 1577-22-6 Monomolecular 15308 XUDOZULIAWNMIU-UHFFFAOYSA-N C=CCCCC(=O)O
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