| SpectraBase Spectrum ID |
6B6HfjuoQpD |
| Name |
Sebacic acid, ethyl 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 |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-2-26-19(22)12-7-5-3-4-6-8-13-20(23)27-15-14-17-10-9-11-18(16-17)21(24)25/h9-11,16H,2-8,12-15H2,1H3 |
| InChIKey |
QPNWEVHCYGIAHG-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCCC1=CC(=CC=C1)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931475 |
