| SpectraBase Spectrum ID |
7AZjRO18sAg |
| Name |
Alanine, N-methyl-N-benzyloxycarbonyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.162708221 u |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-12(2)10-20-15(18)13(3)17(4)16(19)21-11-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3 |
| InChIKey |
GOXFUNLUCFLBPG-UHFFFAOYSA-N |
| SMILES |
C1=C(C=CC=C1)COC(N(C(C(OCC(C)C)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819487 |
