| SpectraBase Spectrum ID |
DeSPOZVFuyK |
| Name |
dl-Alanine, N-(chloroacetyl)-N-(2-ethyl-6-methylphenyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.128821269 u |
| Formula |
C16H22ClNO3 |
| InChI |
InChI=1S/C16H22ClNO3/c1-5-13-9-7-8-11(3)15(13)18(14(19)10-17)12(4)16(20)21-6-2/h7-9,12H,5-6,10H2,1-4H3 |
| InChIKey |
WKMSZMBROWIWBU-UHFFFAOYSA-N |
| Molecular Weight |
311.809 g/mol |
| SMILES |
C1(=C(C(=CC=C1)CC)N(C(CCl)=O)C(C(OCC)=O)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.973014 |
