| SpectraBase Spectrum ID |
1ZwYl5DaKMo |
| Name |
L-Alanine, N-(2-chloroethoxycarbonyl)-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.092435760 u |
| Formula |
C10H18ClNO4 |
| InChI |
InChI=1S/C10H18ClNO4/c1-3-4-6-15-9(13)8(2)12-10(14)16-7-5-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey |
TYFRIOWVTUHRCW-UHFFFAOYSA-N |
| Molecular Weight |
251.710 g/mol |
| SMILES |
C(NC(OCCCl)=O)(C(OCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875251 |
