| SpectraBase Spectrum ID |
GWHyTgoap0w |
| Name |
(Z)-Ethyl 4-oxo-4-(N-benzylisobutylamido)but-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.147058156 u |
| Formula |
C17H21NO4 |
| InChI |
InChI=1S/C17H21NO4/c1-4-22-16(20)11-10-15(19)18(17(21)13(2)3)12-14-8-6-5-7-9-14/h5-11,13H,4,12H2,1-3H3/b11-10- |
| InChIKey |
LZEJFJVZAKWXGE-KHPPLWFESA-N |
| SMILES |
C(N(C(\C=C/C(=O)OCC)=O)CC=1C=CC=CC1)(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949121 |
