| SpectraBase Spectrum ID |
3Vqbnv9yVf0 |
| Name |
Succinic acid, ethyl 3-methyl-2-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/c1-3-20-12(16)7-8-13(17)21-9-11-6-4-5-10(2)14(11)15(18)19/h4-6H,3,7-9H2,1-2H3 |
| InChIKey |
IVPOKIKLIPUSIP-UHFFFAOYSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC(=C1N(=O)=O)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95899 |
