| SpectraBase Spectrum ID |
8bsZveSkqaK |
| Name |
Glutaric acid, ethyl 3-nitro-4-methoxybenzyl 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)23-10-11-7-8-13(21-2)12(9-11)16(19)20/h7-9H,3-6,10H2,1-2H3 |
| InChIKey |
ACRNHEIDONDDKO-UHFFFAOYSA-N |
| Molecular Weight |
325.317 g/mol |
| SMILES |
C(OCC1=CC=C(C(=C1)N(=O)=O)OC)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814255 |
