| SpectraBase Spectrum ID |
5SwHOfASIS2 |
| Name |
Glutaric acid, 3-methoxy-4-nitrobenzyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.116151949 u |
| Formula |
C15H19NO7 |
| InChI |
InChI=1S/C15H19NO7/c1-3-22-14(17)5-4-6-15(18)23-10-11-7-8-12(16(19)20)13(9-11)21-2/h7-9H,3-6,10H2,1-2H3 |
| InChIKey |
RPSPBPZWTNEDPN-UHFFFAOYSA-N |
| Molecular Weight |
325.317 g/mol |
| SMILES |
C(OCC1=CC=C(C(=C1)OC)N(=O)=O)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881832 |
