| SpectraBase Spectrum ID |
LxikBayi4Sj |
| Name |
Sebacic acid, ethyl 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.168187523 u |
| Formula |
C18H25NO6 |
| InChI |
InChI=1S/C18H25NO6/c1-2-24-17(20)9-7-5-3-4-6-8-10-18(21)25-16-13-11-15(12-14-16)19(22)23/h11-14H,2-10H2,1H3 |
| InChIKey |
UWKVWSYGJJAGLD-UHFFFAOYSA-N |
| Molecular Weight |
351.399 g/mol |
| SMILES |
C(CCCCCCC(OC1=CC=C(C=C1)N(=O)=O)=O)CC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940782 |
