| SpectraBase Spectrum ID |
Fn1XYf0qwFE |
| Name |
Phthalic acid, 3-chloro-2-nitrobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.050964869 u |
| Formula |
C17H14ClNO6 |
| InChI |
InChI=1S/C17H14ClNO6/c1-2-24-16(20)12-7-3-4-8-13(12)17(21)25-10-11-6-5-9-14(18)15(11)19(22)23/h3-9H,2,10H2,1H3 |
| InChIKey |
CDTQDZULHMOAPK-UHFFFAOYSA-N |
| Molecular Weight |
363.753 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(Cl)C1N(=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865209 |
