| SpectraBase Spectrum ID |
LQOh6N8hdGn |
| Name |
Succinic 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 |
315.050964869 u |
| Formula |
C13H14ClNO6 |
| InChI |
InChI=1S/C13H14ClNO6/c1-2-20-11(16)6-7-12(17)21-8-9-4-3-5-10(14)13(9)15(18)19/h3-5H,2,6-8H2,1H3 |
| InChIKey |
PVTDTKHXIIJGOC-UHFFFAOYSA-N |
| Molecular Weight |
315.709 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC(=C1N(=O)=O)Cl)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925208 |
