| SpectraBase Spectrum ID |
DkXpklGx3q |
| Name |
.beta.-Alanine, N-(2-chlorobenzoyl)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.066221012 u |
| Formula |
C12H14ClNO3 |
| InChI |
InChI=1S/C12H14ClNO3/c1-2-17-11(15)7-8-14-12(16)9-5-3-4-6-10(9)13/h3-6H,2,7-8H2,1H3,(H,14,16) |
| InChIKey |
SLITWDDTDLXMJU-UHFFFAOYSA-N |
| Molecular Weight |
255.701 g/mol |
| SMILES |
C1=CC=CC(=C1C(NCCC(OCC)=O)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860592 |
