| SpectraBase Spectrum ID |
8vFD6jC9jXU |
| Name |
Succinic acid, 3-methyl-4-nitrobenzyl propyl 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/c1-3-8-21-14(17)6-7-15(18)22-10-12-4-5-13(16(19)20)11(2)9-12/h4-5,9H,3,6-8,10H2,1-2H3 |
| InChIKey |
LDIWEZXQECSDQW-UHFFFAOYSA-N |
| Molecular Weight |
309.318 g/mol |
| SMILES |
C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936061 |
