| SpectraBase Spectrum ID |
5KR7UejTgct |
| Name |
Methyl 4-(2-Bromophenylmethyl)-6-cyano-6-(N-methylanilino)hexa-2,5-dienoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H21BrN2O2 |
| InChI |
InChI=1S/C22H21BrN2O2/c1-25(19-9-4-3-5-10-19)20(16-24)15-17(12-13-22(26)27-2)14-18-8-6-7-11-21(18)23/h3-13,15,17H,14H2,1-2H3/b13-12+,20-15+ |
| InChIKey |
OLEWWQVBZABCCR-PAIIRMBHSA-N |
| Molecular Weight |
425.326 g/mol |
| SMILES |
c1(N(\C(=C\C(\C=C\C(=O)OC)Cc2c(Br)cccc2)C#N)C)ccccc1 |
| SPLASH |
splash10-0a4i-0090000000-7112481bd25a38d07e27 |
| Source of Spectrum |
KC-0-883-13 |
| Synonyms |
methyl (2E,5E)-4-(2-bromobenzyl)-6-cyano-6-(methylanilino)-2,5-hexadienoate |
| Wiley ID |
783345 |
