| SpectraBase Spectrum ID |
Ab1wPoU8MaM |
| Name |
Sebacic acid, ethyl 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 |
379.199487652 u |
| Formula |
C20H29NO6 |
| InChI |
InChI=1S/C20H29NO6/c1-3-26-19(22)10-8-6-4-5-7-9-11-20(23)27-15-17-12-13-18(21(24)25)16(2)14-17/h12-14H,3-11,15H2,1-2H3 |
| InChIKey |
JTQZRIAKZBSOBH-UHFFFAOYSA-N |
| Molecular Weight |
379.453 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=CC(=C(C=C1)N(=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934478 |
