| SpectraBase Spectrum ID |
EK1BphZDriR |
| Name |
4-Chloro-2-nitro-4'-methoxy-.alpha.-phenylcinnamic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.040400185 u |
| Formula |
C16H12ClNO5 |
| InChI |
InChI=1S/C16H12ClNO5/c1-23-13-6-3-10(4-7-13)14(16(19)20)8-11-2-5-12(17)9-15(11)18(21)22/h2-9H,1H3,(H,19,20)/b14-8- |
| InChIKey |
ZZLKYUJGBAWQCU-ZSOIEALJSA-N |
| Molecular Weight |
333.727 g/mol |
| SMILES |
COC1=CC=C(C=C1)\C(C(=O)O)=C\C1=C(N(=O)=O)C=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816042 |
