| SpectraBase Spectrum ID |
BBuKC9JXM0d |
| Name |
Glutaric acid, monoamide, N-(2-(4-methoxyphenyl)ethyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-3-21-16(19)6-4-5-15(18)17-12-11-13-7-9-14(20-2)10-8-13/h7-10H,3-6,11-12H2,1-2H3,(H,17,18) |
| InChIKey |
AHUYPYXQEISPGE-UHFFFAOYSA-N |
| SMILES |
COC1=CC=C(C=C1)CCNC(CCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934107 |
