| SpectraBase Spectrum ID |
1J6Az4o6Unw |
| Name |
Sebacic acid, ethyl 4-methoxy-3-nitrobenzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.194402271 u |
| Formula |
C20H29NO7 |
| InChI |
InChI=1S/C20H29NO7/c1-3-27-19(22)10-8-6-4-5-7-9-11-20(23)28-15-16-12-13-18(26-2)17(14-16)21(24)25/h12-14H,3-11,15H2,1-2H3 |
| InChIKey |
ZZTMXLHMLMNFKE-UHFFFAOYSA-N |
| Molecular Weight |
395.452 g/mol |
| SMILES |
C(CCCCCCC(OCC)=O)CC(OCC1=CC(=C(C=C1)OC)N(=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951051 |
