| SpectraBase Spectrum ID |
GKDbxUOJVxa |
| Name |
Benzoic acid, 4-chloro-2-nitro-, 4-methoxyphenyl 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/c1-20-10-3-5-11(6-4-10)21-14(17)12-7-2-9(15)8-13(12)16(18)19/h2-8H,1H3 |
| InChIKey |
POWWFFYSVIFCMG-UHFFFAOYSA-N |
| Molecular Weight |
307.689 g/mol |
| SMILES |
C1(=C(N(=O)=O)C=C(C=C1)Cl)C(OC1=CC=C(OC)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.802144 |
