| SpectraBase Spectrum ID |
C7Z6B7HIknE |
| Name |
2-Amino-2-methyl-4-phenylbutanoic acid, N-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.141578854 u |
| Formula |
C13H19NO2 |
| InChI |
InChI=1S/C13H19NO2/c1-13(14-2,12(15)16-3)10-9-11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3 |
| InChIKey |
RTSQDVBJPKLIAB-UHFFFAOYSA-N |
| Molecular Weight |
221.300 g/mol |
| SMILES |
C(NC)(CCC1=CC=CC=C1)(C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90627 |
