| SpectraBase Spectrum ID |
DxVAhqncnea |
| Name |
(2S)-N-Acetyl-2-amino-3-phenylpropanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.105527697 u |
| Formula |
C11H14N2O2 |
| InChI |
InChI=1S/C11H14N2O2/c1-8(14)13-11(15)10(12)7-9-5-3-2-4-6-9/h2-6,10H,7,12H2,1H3,(H,13,14,15)/t10-/m0/s1 |
| InChIKey |
NUPDDTQMGFCFGB-JTQLQIEISA-N |
| Molecular Weight |
206.245 g/mol |
| SMILES |
C(NC(=O)C)([C@](CC1=CC=CC=C1)(N)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978335 |
