| SpectraBase Spectrum ID |
I7B5VGV7S0g |
| Name |
Succinic acid, butyl 2-(3-nitrophenyl)ethyl 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/c1-2-3-10-22-15(18)7-8-16(19)23-11-9-13-5-4-6-14(12-13)17(20)21/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey |
IVQORNAVBPDNEJ-UHFFFAOYSA-N |
| Molecular Weight |
323.345 g/mol |
| SMILES |
C(CCC(OCCC1=CC=CC(=C1)N(=O)=O)=O)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813547 |
