New Database Available - Released on 11/08/2026.
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molecules
Showing 511 to 540 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Pyrrolidine 123-75-1 Monomolecular 31268 RWRDLPDLKQPQOW-UHFFFAOYSA-N C1CCNC1
Propyl mercaptan 107-03-9 Monomolecular 7848 SUVIGLJNEAMWEG-UHFFFAOYSA-N CCCS
Propanal 123-38-6 Monomolecular 527 NBBJYMSMWIIQGU-UHFFFAOYSA-N CCC=O
Diethyl Succinate 123-25-1 Monomolecular 31249 DKMROQRQHGEIOW-UHFFFAOYSA-N CCOC(=O)CCC(=O)OCC
(L)-alpha-terpineol 10482-56-1 Monomolecular 443162 WUOACPNHFRMFPN-SECBINFHSA-N CC1=CC[C@H](CC1)C(C)(C)O
Ethyl caprate 110-38-3 Monomolecular 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
Ethyl trans-crotonate 623-70-1 Monomolecular 429065 ZFDIRQKJPRINOQ-HWKANZROSA-N CCOC(=O)/C=C/C
gamma-Octalactone 104-50-7 Sum of Isomers 7704 IPBFYZQJXZJBFQ-UHFFFAOYSA-N CCCCC1CCC(=O)O1
2-Ethylhexanoic Acid 149-57-5 Sum of Isomers 8697 OBETXYAYXDNJHR-UHFFFAOYSA-N CCCCC(CC)C(=O)O
Ethyl Cinnamate 103-36-6 Monomolecular 637758 KBEBGUQPQBELIU-CMDGGOBGSA-N CCOC(=O)/C=C/C1=CC=CC=C1
Ethyl octanoate 106-32-1 Monomolecular 7799 YYZUSRORWSJGET-UHFFFAOYSA-N CCCCCCCC(=O)OCC
Formic Acid 64-18-6 Monomolecular 284 BDAGIHXWWSANSR-UHFFFAOYSA-N C(=O)O
Acrolein 107-02-8 Monomolecular 7847 HGINCPLSRVDWNT-UHFFFAOYSA-N C=CC=O
Methyl Acetate 79-20-9 Monomolecular 6584 KXKVLQRXCPHEJC-UHFFFAOYSA-N CC(=O)OC
Lactic Acid 50-21-5 Sum of Isomers 612 JVTAAEKCZFNVCJ-UHFFFAOYSA-N CC(C(=O)O)O
1-Propanol 71-23-8 Monomolecular 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
Acetaldehyde 75-07-0 Monomolecular 177 IKHGUXGNUITLKF-UHFFFAOYSA-N CC=O
Methyl butyrate 623-42-7 Monomolecular 12180 UUIQMZJEGPQKFD-UHFFFAOYSA-N CCCC(=O)OC
2-Pentanol 6032-29-7 Sum of Isomers 22386 JYVLIDXNZAXMDK-UHFFFAOYSA-N CCCC(C)O
(L)-ethyl lactate 687-47-8 Monomolecular 92831 LZCLXQDLBQLTDK-BYPYZUCNSA-N CCOC(=O)[C@H](C)O
Butyl ether 142-96-1 Monomolecular 8909 DURPTKYDGMDSBL-UHFFFAOYSA-N CCCCOCCCC
Furfuryl Alcohol 98-00-0 Monomolecular 7361 XPFVYQJUAUNWIW-UHFFFAOYSA-N C1=COC(=C1)CO
1-Undecanol 112-42-5 Monomolecular 8184 KJIOQYGWTQBHNH-UHFFFAOYSA-N CCCCCCCCCCCO
Borneol 507-70-0 Sum of Isomers 64685 DTGKSKDOIYIVQL-UHFFFAOYSA-N CC1(C2CCC1(C(C2)O)C)C
Npc189036 464-45-9 Monomolecular 10049 DTGKSKDOIYIVQL-NQMVMOMDSA-N C[C@]12CC[C@@H](C1(C)C)C[C@H]2O
Aluminum Acetate 139-12-8 Monomolecular 8757 WCOATMADISNSBV-UHFFFAOYSA-K CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Al+3]
Benzyl 4-Hydroxybenzoate 94-18-8 Monomolecular 7180 MOZDKDIOPSPTBH-UHFFFAOYSA-N C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O
N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamide 147056-66-4 Monomolecular 1265 PFRKDKQPQSBYQX-UHFFFAOYSA-N CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN ...
(E)-4-Hexen-1-ol 928-92-7 Monomolecular 641248 VTIODUHBZHNXFP-NSCUHMNNSA-N C/C=C/CCCO
5-Hexen-1-ol 821-41-0 Monomolecular 69963 UIZVMOZAXAMASY-UHFFFAOYSA-N C=CCCCCO
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