| SpectraBase Spectrum ID |
2Qxl96eSaPV |
| Name |
Succinic acid, 3-methylbut-2-yl 3-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)12(3)23-16(19)8-7-15(18)22-10-13-5-4-6-14(9-13)17(20)21/h4-6,9,11-12H,7-8,10H2,1-3H3 |
| InChIKey |
RDGDBSPRCWADRH-UHFFFAOYSA-N |
| Molecular Weight |
323.345 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.803956 |
