| SpectraBase Spectrum ID |
K9FhNnatcRM |
| Name |
2-Chloro-4-nitrocarbanilic acid, piperonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.030563776 u |
| Formula |
C15H11ClN2O6 |
| InChI |
InChI=1S/C15H11ClN2O6/c16-11-6-10(18(20)21)2-3-12(11)17-15(19)22-7-9-1-4-13-14(5-9)24-8-23-13/h1-6H,7-8H2,(H,17,19) |
| InChIKey |
CHBDBBXGHKHULN-UHFFFAOYSA-N |
| Molecular Weight |
350.714 g/mol |
| SMILES |
N(C1=CC=C(C=C1Cl)N(=O)=O)C(OCC=1C=C2C(=CC1)OCO2)=O |
| Spectrum/Structure Validation Score (Raman) |
0.724143 |
