| SpectraBase Spectrum ID |
GF1IutmqYnu |
| Name |
Glutaric acid, di(4-nitrobenzyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.106315540 u |
| Formula |
C19H18N2O8 |
| InChI |
InChI=1S/C19H18N2O8/c22-18(28-12-14-4-8-16(9-5-14)20(24)25)2-1-3-19(23)29-13-15-6-10-17(11-7-15)21(26)27/h4-11H,1-3,12-13H2 |
| InChIKey |
FURINKLSDBYAQM-UHFFFAOYSA-N |
| Molecular Weight |
402.359 g/mol |
| SMILES |
C(OCC1=CC=C(C=C1)N(=O)=O)(=O)CCCC(OCC1=CC=C(C=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836146 |
