| SpectraBase Spectrum ID |
82Cc65Koimr |
| Name |
Succinic acid, ethyl 3-methyl-4-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c1-3-20-13(16)6-7-14(17)21-9-11-4-5-12(15(18)19)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3 |
| InChIKey |
JOEQXCQSDJEHEZ-UHFFFAOYSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965342 |
