| SpectraBase Spectrum ID |
G09cX9WgT0d |
| Name |
Glutaric acid, ethyl 2-methyl-3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.121237330 u |
| Formula |
C15H19NO6 |
| InChI |
InChI=1S/C15H19NO6/c1-3-21-14(17)8-5-9-15(18)22-10-12-6-4-7-13(11(12)2)16(19)20/h4,6-7H,3,5,8-10H2,1-2H3 |
| InChIKey |
DBYQNIKVAYNRFF-UHFFFAOYSA-N |
| Molecular Weight |
309.318 g/mol |
| SMILES |
CCOC(=O)CCCC(OCC1=CC=CC(=C1C)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.892538 |
