| SpectraBase Spectrum ID |
7pP99Z7A7ZS |
| Name |
Succinic acid, isobutyl 3-methyl-4-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)9-22-15(18)6-7-16(19)23-10-13-4-5-14(17(20)21)12(3)8-13/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey |
AYLNQQFQYJFZRM-UHFFFAOYSA-N |
| Molecular Weight |
323.345 g/mol |
| SMILES |
C(CCC(OCC1=CC=C(C(=C1)C)N(=O)=O)=O)(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884971 |
