New Database Available - Released on 23/03/2024.
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molecules
Showing 61 to 90 of 771 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
hexanal mono 6184 JARKCYVAAOWBJS-UHFFFAOYSA-N CCCCCC=O
phenylacetate mono 4409936 WLJVXDMOQOGPHL-UHFFFAOYSA-M C1=CC=C(C=C1)CC(=O)[O-]
1,4-cineole mono 10106 RFFOTVCVTJUTAD-UHFFFAOYSA-N CC(C)C12CCC(O1)(CC2)C
Methyl-pentanal sum of isomers 31245 FTZILAQGHINQQR-UHFFFAOYSA-N CCCC(C)C=O
2-bromovaleric acid sum of isomers 11446 WMFATTFQNRPXBQ-UHFFFAOYSA-N CCCC(C(=O)O)Br
(R)-Carvone mono 439570 ULDHMXUKGWMISQ-SECBINFHSA-N CC1=CC[C@H](CC1=O)C(=C)C
Citral dimethylacetal mono 5352435 ZSKAJFSSXURRGL-PKNBQFBNSA-N CC(=CCC/C(=C/C(OC)OC)/C)C
anisole mono 7519 RDOXTESZEPMUJZ-UHFFFAOYSA-N COC1=CC=CC=C1
Isoamyl acetate mono 31276 MLFHJEHSLIIPHL-UHFFFAOYSA-N CC(C)CCOC(=O)C
(S)-(-)-citronellol mono 7793 QMVPMAAFGQKVCJ-JTQLQIEISA-N C[C@@H](CCC=C(C)C)CCO
pyrrolidine mono 31268 RWRDLPDLKQPQOW-UHFFFAOYSA-N C1CCNC1
(S)-(-)-citronellal mono 443157 NEHNMFOYXAPHSD-JTQLQIEISA-N C[C@@H](CCC=C(C)C)CC=O
(R)-(+)-citronellal mono 75427 NEHNMFOYXAPHSD-SNVBAGLBSA-N C[C@H](CCC=C(C)C)CC=O
Bromobutyric acid sum of isomers 6655 YAQLSKVCTLCIIE-UHFFFAOYSA-N CCC(C(=O)O)Br
2-methyl-butyric acid sum of isomers 8314 WLAMNBDJUVNPJU-UHFFFAOYSA-N CCC(C)C(=O)O
damascenone mono 5366074 POIARNZEYGURDG-FNORWQNLSA-N C/C=C/C(=O)C1=C(C=CCC1(C)C)C
E,E-2,4-decadienal mono 5283349 JZQKTMZYLHNFPL-BLHCBFLLSA-N CCCCC/C=C/C=C/C=O
E,Z-2,6-nonadienal mono 643731 HZYHMHHBBBSGHB-ODYTWBPASA-N CC/C=C\CC/C=C/C=O
(E)-alpha-Ionone mono 5282108 UZFLPKAIBPNNCA-BQYQJAHWSA-N CC1=CCCC(C1/C=C/C(=O)C)(C)C
E,E-2,6-nonadienal mono 88369124 HZYHMHHBBBSGHB-KPDBFRNYSA-N CC/C=C\CC/C=C\C=O
Z-4-decenal mono 5362620 CWRKZMLUDFBPAO-SREVYHEPSA-N CCCCC/C=C\CCC=O
Z-7-Decenal mono 5362695 UZFFFFWQKMPLAC-ARJAWSKDSA-N CC/C=C\CCCCCC=O
E-beta-damascone mono 5374527 BGTBFNDXYDYBEY-FNORWQNLSA-N C/C=C/C(=O)C1=C(CCCC1(C)C)C
(-)-Myrtenal mono 1201529 KMRMUZKLFIEVAO-IUCAKERBSA-N CC1([C@H]2CC=C([C@@H]1C2)C=O)C
nerolidol mono 5284507 FQTLCLSUCSAZDY-SDNWHVSQSA-N CC(=CCC/C(=C/CCC(C)(C=C)O)/C)C
(E)-beta-Ionone mono 638014 PSQYTAPXSHCGMF-BQYQJAHWSA-N CC1=C(C(CCC1)(C)C)/C=C/C(=O)C
nerylacetate sum of isomers 7780 HIGQPQRQIQDZMP-UHFFFAOYSA-N CC(=CCCC(=CCOC(=O)C)C)C
E-4-Decenal mono 5702654 CWRKZMLUDFBPAO-VOTSOKGWSA-N CCCCC/C=C/CCC=O
E,E-2,4-dodecadienal mono 5367530 QKTZBZWNADPFOL-BNFZFUHLSA-N CCCCCCC/C=C/C=C/C=O
trans,trans-2,4-Nonadienal mono 5283339 ZHHYXNZJDGDGPJ-BSWSSELBSA-N CCCC/C=C/C=C/C=O