| SpectraBase Spectrum ID |
IxCXIU37AGb |
| Name |
(2S)-2-(Benzyloxycarbonylamino)butyric acid tert-butyl 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/c1-5-13(14(18)21-16(2,3)4)17-15(19)20-11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,19)/t13-/m0/s1 |
| InChIKey |
BSDVZIHCZVITFO-ZDUSSCGKSA-N |
| SMILES |
C([C@](CC)(NC(=O)OCC=1C=CC=CC1)[H])(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948852 |
