| SpectraBase Spectrum ID |
7PKvR51v0le |
| Name |
Succinic acid, isobutyl 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/c1-11(2)9-21-14(17)7-8-15(18)22-10-12-5-3-4-6-13(12)16(19)20/h3-6,11H,7-10H2,1-2H3 |
| InChIKey |
YVEKQJGVCCNOCB-UHFFFAOYSA-N |
| Molecular Weight |
309.318 g/mol |
| SMILES |
C1=CC=C(C(=C1)N(=O)=O)COC(=O)CCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919805 |
