| SpectraBase Spectrum ID |
1AgVIc5qrXE |
| Name |
Methyl 4'-Bromo-6-cyano-4-hexyl-3-hydroxybiphenyl-2-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22BrNO3 |
| InChI |
InChI=1S/C21H22BrNO3/c1-3-4-5-6-7-15-12-16(13-23)18(14-8-10-17(22)11-9-14)19(20(15)24)21(25)26-2/h8-12,24H,3-7H2,1-2H3 |
| InChIKey |
UCPZNBPIKWTWGC-UHFFFAOYSA-N |
| Molecular Weight |
416.315 g/mol |
| SMILES |
Oc1c(c(c(C#N)cc1CCCCCC)-c1ccc(cc1)Br)C(=O)OC |
| SPLASH |
splash10-001i-0091300000-c9405bd8f8f78eb2c923 |
| Source of Spectrum |
F4-41-1630-4v |
| Wiley ID |
1672326 |
