| SpectraBase Spectrum ID |
C8uZYVocTnS |
| Name |
L-Alanine, N-benzyloxycarbonyl-, ethyl 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/c1-3-17-12(15)10(2)14-13(16)18-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,16)/t10-/m0/s1 |
| InChIKey |
LPVIAWIIPLTGFK-JTQLQIEISA-N |
| Molecular Weight |
251.282 g/mol |
| SMILES |
CCOC([C@@](NC(OCC1=CC=CC=C1)=O)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920995 |
