| SpectraBase Spectrum ID |
2gcpoHkHQW |
| Name |
L-Phenylalanine, N-methyl-N-(methoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-14(13(16)18-3)11(12(15)17-2)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3 |
| InChIKey |
PALJHFYCDLRLIG-UHFFFAOYSA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(OC)=O)N(C)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964976 |
