| SpectraBase Spectrum ID |
3AmsPRRaQcC |
| Name |
Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-phenylpentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.188922968 u |
| Formula |
C23H27NO5 |
| InChI |
InChI=1S/C23H27NO5/c1-23(2,3)29-22(27)24-20(15-19(25)14-17-10-6-4-7-11-17)21(26)28-16-18-12-8-5-9-13-18/h4-13,20H,14-16H2,1-3H3,(H,24,27)/t20-/m0/s1 |
| InChIKey |
SXQYVYZHZQSJQX-FQEVSTJZSA-N |
| Molecular Weight |
397.471 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC(=O)CC1=CC=CC=C1)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908171 |
![Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-phenylpentanoate](/api/spectrum/3AmsPRRaQcC/structure.png?h=300&w=458 "Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-5-phenylpentanoate")
