New Database Available - Released on 29/09/2026.
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molecules
Showing 631 to 660 of 763 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Geosmin 19700-21-1 Monomolecular 29746 JLPUXFOGCDVKGO-TUAOUCFPSA-N C[C@H]1CCC[C@@]2([C@@]1(CCCC2)O)C
Delta-Nonalactone 3301-94-8 Sum of Isomers 18698 PXRBWNLUQYZAAX-UHFFFAOYSA-N CCCCC1CCCC(=O)O1
3-Propylphenol 621-27-2 Monomolecular 69302 MPWGZBWDLMDIHO-UHFFFAOYSA-N CCCC1=CC(=CC=C1)O
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
Piperitone, L- 4573-50-6 Monomolecular 107561 YSTPAHQEHQSRJD-SECBINFHSA-N CC1=CC(=O)[C@H](CC1)C(C)C
4-Methoxybenzyl alcohol 105-13-5 Monomolecular 7738 MSHFRERJPWKJFX-UHFFFAOYSA-N COC1=CC=C(C=C1)CO
6-Octenal, 3,7-dimethyl-, (3R)- 2385-77-5 Monomolecular 75427 NEHNMFOYXAPHSD-SNVBAGLBSA-N C[C@H](CCC=C(C)C)CC=O
Propyl mercaptan 107-03-9 Monomolecular 7848 SUVIGLJNEAMWEG-UHFFFAOYSA-N CCCS
Ethyl trans-crotonate 623-70-1 Monomolecular 429065 ZFDIRQKJPRINOQ-HWKANZROSA-N CCOC(=O)/C=C/C
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
Diethyl Succinate 123-25-1 Monomolecular 31249 DKMROQRQHGEIOW-UHFFFAOYSA-N CCOC(=O)CCC(=O)OCC
Formic Acid 64-18-6 Monomolecular 284 BDAGIHXWWSANSR-UHFFFAOYSA-N C(=O)O
Ethyl caprate 110-38-3 Monomolecular 8048 RGXWDWUGBIJHDO-UHFFFAOYSA-N CCCCCCCCCC(=O)OCC
1-Propanol 71-23-8 Monomolecular 1031 BDERNNFJNOPAEC-UHFFFAOYSA-N CCCO
Acrolein 107-02-8 Monomolecular 7847 HGINCPLSRVDWNT-UHFFFAOYSA-N C=CC=O
Ethyl octanoate 106-32-1 Monomolecular 7799 YYZUSRORWSJGET-UHFFFAOYSA-N CCCCCCCC(=O)OCC
Ipsdienol 35628-00-3 Monomolecular 92301 NHMKYUHMPXBMFI-SNVBAGLBSA-N CC(=C[C@H](CC(=C)C=C)O)C
4-Terpineol, (-)- 20126-76-5 Monomolecular 5325830 WRYLYDPHFGVWKC-JTQLQIEISA-N CC1=CC[C@](CC1)(C(C)C)O
Grandisol 26532-22-9 Monomolecular 169202 SJKPJXGGNKMRPD-VHSXEESVSA-N CC(=C)[C@@H]1CC[C@]1(C)CCO
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
Chloropyrazine 14508-49-7 Monomolecular 73277 GELVZYOEQVJIRR-UHFFFAOYSA-N C1=CN=C(C=N1)Cl
Acetylpyrazine 22047-25-2 Monomolecular 30914 DBZAKQWXICEWNW-UHFFFAOYSA-N CC(=O)C1=NC=CN=C1
2-Methylpyrazine 109-08-0 Monomolecular 7976 CAWHJQAVHZEVTJ-UHFFFAOYSA-N CC1=NC=CN=C1
2-Isobutyl-3-methyl pyrazine 13925-06-9 Monomolecular 26333 ZHMIODDNZRIENW-UHFFFAOYSA-N CC1=NC=CN=C1CC(C)C
2,3-Dimethylpyrazine 5910-89-4 Monomolecular 22201 OXQOBQJCDNLAPO-UHFFFAOYSA-N CC1=NC=CN=C1C
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