| SpectraBase Spectrum ID |
njc01dIxm4 |
| Name |
(2S)-2-(Tert-butoxycarbonylamino)-3-cyano-propionic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.142307128 u |
| Formula |
C16H20N2O4 |
| InChI |
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(20)18-13(9-10-17)14(19)21-11-12-7-5-4-6-8-12/h4-8,13H,9,11H2,1-3H3,(H,18,20)/t13-/m0/s1 |
| InChIKey |
WKUAXNOREZLBIC-ZDUSSCGKSA-N |
| Molecular Weight |
304.346 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC#N)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93984 |
