| SpectraBase Spectrum ID |
FA4zBenKeMh |
| Name |
Succinic acid, 2-ethylhexyl 3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.183837587 u |
| Formula |
C19H27NO6 |
| InChI |
InChI=1S/C19H27NO6/c1-3-5-7-15(4-2)13-25-18(21)10-11-19(22)26-14-16-8-6-9-17(12-16)20(23)24/h6,8-9,12,15H,3-5,7,10-11,13-14H2,1-2H3 |
| InChIKey |
DGVHIGKHQKJCJK-UHFFFAOYSA-N |
| Molecular Weight |
365.426 g/mol |
| SMILES |
C(CC(OCC(CC)CCCC)=O)C(OCC1=CC=CC(=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896718 |
