| SpectraBase Spectrum ID |
4MscIhXqby1 |
| Name |
Glutaric 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 |
309.121237330 u |
| Formula |
C15H19NO6 |
| InChI |
InChI=1S/C15H19NO6/c1-3-21-13(17)8-5-9-14(18)22-10-12-7-4-6-11(2)15(12)16(19)20/h4,6-7H,3,5,8-10H2,1-2H3 |
| InChIKey |
GEMSERKKNYXLLS-UHFFFAOYSA-N |
| Molecular Weight |
309.318 g/mol |
| SMILES |
C(OCC1=C(C(C)=CC=C1)N(=O)=O)(=O)CCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877869 |
