New Database Available - Released on 23/03/2024.
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molecules
Showing 151 to 180 of 768 results
 
Name
CAS
Mixture
CID
InChIKey
Smiles
tonalide sum of isomers 89440 DNRJTBAOUJJKDY-UHFFFAOYSA-N CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C) ...
celestolide mono 61585 IKTHMQYJOWTSJO-UHFFFAOYSA-N CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C
cashmeran sum of isomers 92292 MIZGSAALSYARKU-UHFFFAOYSA-N CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
3,7-Dimethyl-2,6-octadienal sum of isomers 8843 WTEVQBCEXWBHNA-UHFFFAOYSA-N CC(=CCCC(=CC=O)C)C
(R)-(+)-citronellol mono 101977 QMVPMAAFGQKVCJ-SNVBAGLBSA-N C[C@H](CCC=C(C)C)CCO
Citralva mono 1551246 HLCSDJLATUNSSI-JXMROGBWSA-N CC(=CCC/C(=C/C#N)/C)C
2-Acetyl-3-methylpyrazine mono 32093 QUNOTZOHYZZWKQ-UHFFFAOYSA-N CC1=NC=CN=C1C(=O)C
adipic acid mono 196 WNLRTRBMVRJNCN-UHFFFAOYSA-N C(CCC(=O)O)CC(=O)O
Succinic acid mono 1110 KDYFGRWQOYBRFD-UHFFFAOYSA-N C(CC(=O)O)C(=O)O
Raspberry ketone mono 21648 NJGBTKGETPDVIK-UHFFFAOYSA-N CC(=O)CCC1=CC=C(C=C1)O
butanethiol mono 8012 WQAQPCDUOCURKW-UHFFFAOYSA-N CCCCS
hexanol mono 8103 ZSIAUFGUXNUGDI-UHFFFAOYSA-N CCCCCCO
heptanol mono 8129 BBMCTIGTTCKYKF-UHFFFAOYSA-N CCCCCCCO
pentanol mono 6276 AMQJEAYHLZJPGS-UHFFFAOYSA-N CCCCCO
2-bromo-octanoic acid sum of isomers 552003 GTGTXZRPJHDASG-UHFFFAOYSA-N CCCCCCC(C(=O)O)Br
2-bromo-hexanoic acid sum of isomers 12013 HZTPKMIMXLTOSK-UHFFFAOYSA-N CCCCC(C(=O)O)Br
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