New Database Available - Released on 11/08/2026.
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molecules
Showing 571 to 600 of 627 results
 
Name
Mixture
Reference
Name
CAS
Mixture
CID
InChIKey
SMILES
Pentyl valerate 2173-56-0 Monomolecular 62433 FGPPDYNPZTUNIU-UHFFFAOYSA-N CCCCCOC(=O)CCCC
Gamma-undecalactone 104-67-6 Sum of Isomers 7714 PHXATPHONSXBIL-UHFFFAOYSA-N CCCCCCCC1CCC(=O)O1
Methyl Laurate 111-82-0 Monomolecular 8139 UQDUPQYQJKYHQI-UHFFFAOYSA-N CCCCCCCCCCCC(=O)OC
Isobutanol 78-83-1 Monomolecular 6560 ZXEKIIBDNHEJCQ-UHFFFAOYSA-N CC(C)CO
3-Heptanone 106-35-4 Monomolecular 7802 NGAZZOYFWWSOGK-UHFFFAOYSA-N CCCCC(=O)CC
3-Nonanone 925-78-0 Monomolecular 61235 IYTXKIXETAELAV-UHFFFAOYSA-N CCCCCCC(=O)CC
m-Ethylbenzaldehyde 34246-54-3 Monomolecular 118623 LLYXUFQXCNIGDG-UHFFFAOYSA-N CCC1=CC(=CC=C1)C=O
Butyl Benzoate 136-60-7 Monomolecular 8698 XSIFPSYPOVKYCO-UHFFFAOYSA-N CCCCOC(=O)C1=CC=CC=C1
Anethole 104-46-1 Monomolecular 637563 RUVINXPYWBROJD-ONEGZZNKSA-N C/C=C/C1=CC=C(C=C1)OC
2-Phenylethyl propionate 122-70-3 Monomolecular 31225 HVGZQCSMLUDISR-UHFFFAOYSA-N CCC(=O)OCCC1=CC=CC=C1
3-Ethyltoluene 620-14-4 Monomolecular 12100 ZLCSFXXPPANWQY-UHFFFAOYSA-N CCC1=CC=CC(=C1)C
Benzonitrile 100-47-0 Monomolecular 7505 JFDZBHWFFUWGJE-UHFFFAOYSA-N C1=CC=C(C=C1)C#N
3-Hexenyl benzoate, (3Z)- 25152-85-6 Monomolecular 5367706 BCOXBEHFBZOJJZ-ARJAWSKDSA-N CC/C=C\CCOC(=O)C1=CC=CC=C1
Benzyl Benzoate 120-51-4 Monomolecular 2345 SESFRYSPDFLNCH-UHFFFAOYSA-N C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
Benzylamine 100-46-9 Monomolecular 7504 WGQKYBSKWIADBV-UHFFFAOYSA-N C1=CC=C(C=C1)CN
(Z)-Hexadec-9-en-1-ol 10378-01-5 Monomolecular 5367661 LBIYNOAMNIKVKF-FPLPWBNLSA-N CCCCCC/C=C\CCCCCCCCO
Z-9-Hexadecen-1-ol acetate 34010-20-3 Monomolecular 5363285 VAKBQCYSUVICLV-HJWRWDBZSA-N CCCCCC/C=C\CCCCCCCCOC(=O)C
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
Trimethylpyrazine 14667-55-1 Monomolecular 26808 IAEGWXHKWJGQAZ-UHFFFAOYSA-N CC1=CN=C(C(=N1)C)C
2-Methoxy-3-methylpyrazine 2847-30-5 Monomolecular 17898 VKJIAEQRKBQLLA-UHFFFAOYSA-N CC1=NC=CN=C1OC
Pyrazine 290-37-9 Monomolecular 9261 KYQCOXFCLRTKLS-UHFFFAOYSA-N C1=CN=CC=N1
2,6-Dimethylpyrazine 108-50-9 Monomolecular 7938 HJFZAYHYIWGLNL-UHFFFAOYSA-N CC1=CN=CC(=N1)C
5-Methyl-6,7-dihydro-5H-cyclopentylpyrazine 23747-48-0 Sum of Isomers 32065 YZEFQPIMXZVPKP-UHFFFAOYSA-N CC1CCC2=NC=CN=C12
2-Ethylpyrazine 13925-00-3 Monomolecular 26331 KVFIJIWMDBAGDP-UHFFFAOYSA-N CCC1=NC=CN=C1
2-Ethyl-3-methoxypyrazine 25680-58-4 Monomolecular 33135 DPCILIMHENXHQX-UHFFFAOYSA-N CCC1=NC=CN=C1OC
2-Isobutyl-3-methoxypyrazine 24683-00-9 Monomolecular 32594 UXFSPRAGHGMRSQ-UHFFFAOYSA-N CC(C)CC1=NC=CN=C1OC
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