| SpectraBase Spectrum ID |
9Fmn3IGMxTc |
| Name |
Succinic acid, isobutyl 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 |
323.136887394 u |
| Formula |
C16H21NO6 |
| InChI |
InChI=1S/C16H21NO6/c1-11(2)9-22-14(18)7-8-15(19)23-10-13-6-4-5-12(3)16(13)17(20)21/h4-6,11H,7-10H2,1-3H3 |
| InChIKey |
BFRSUTTVLDINRN-UHFFFAOYSA-N |
| Molecular Weight |
323.345 g/mol |
| SMILES |
C(CCC(OCC1=CC=CC(=C1N(=O)=O)C)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934948 |
