| SpectraBase Spectrum ID |
3am65GZ9grZ |
| Name |
L-Valine, N-(2-chlorobenzoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.081871076 u |
| Formula |
C13H16ClNO3 |
| InChI |
InChI=1S/C13H16ClNO3/c1-8(2)11(13(17)18-3)15-12(16)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3,(H,15,16) |
| InChIKey |
FUBQWOIKCWKZGE-UHFFFAOYSA-N |
| SMILES |
CC(C)C(C(OC)=O)NC(=O)C1=C(C=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815622 |
