| SpectraBase Spectrum ID |
63r4NFwSuSq |
| Name |
.beta.-Alanine, N-(2-chloroethoxycarbonyl)-, isobutyl 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/c1-8(2)7-16-9(13)3-5-12-10(14)15-6-4-11/h8H,3-7H2,1-2H3,(H,12,14) |
| InChIKey |
UYKJBTGDEYOEKQ-UHFFFAOYSA-N |
| Molecular Weight |
251.710 g/mol |
| SMILES |
CC(C)COC(CCNC(OCCCl)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881308 |
