| SpectraBase Spectrum ID |
KEfzcYZvwi9 |
| Name |
Adipic acid, monoamide, N-ethyl-N-phenyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.167793602 u |
| Formula |
C16H23NO3 |
| InChI |
InChI=1S/C16H23NO3/c1-3-17(14-10-6-5-7-11-14)15(18)12-8-9-13-16(19)20-4-2/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3 |
| InChIKey |
OMGXUNMUQCUPJO-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)N(C(CCCCC(OCC)=O)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8967 |
