| SpectraBase Spectrum ID |
JrGGk5JNhFo |
| Name |
4-(p-Chlorophenoxy)-3-nitrobenzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.024750121 u |
| Formula |
C14H10ClNO5 |
| InChI |
InChI=1S/C14H10ClNO5/c1-20-14(17)9-2-7-13(12(8-9)16(18)19)21-11-5-3-10(15)4-6-11/h2-8H,1H3 |
| InChIKey |
DHRPZVIKUJORGC-UHFFFAOYSA-N |
| SMILES |
COC(C1=CC(=C(C=C1)OC1=CC=C(Cl)C=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.721178 |
