| SpectraBase Spectrum ID |
CblJqQYLN8S |
| Name |
Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.157622840 u |
| Formula |
C17H23NO5 |
| InChI |
InChI=1S/C17H23NO5/c1-12(19)10-14(18-16(21)23-17(2,3)4)15(20)22-11-13-8-6-5-7-9-13/h5-9,14H,10-11H2,1-4H3,(H,18,21)/t14-/m0/s1 |
| InChIKey |
XRIGGGWREKBODJ-AWEZNQCLSA-N |
| Molecular Weight |
321.373 g/mol |
| SMILES |
C(N[C@](C(OCC=1C=CC=CC1)=O)(CC(=O)C)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958057 |
![Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate](/api/spectrum/CblJqQYLN8S/structure.png?h=300&w=458 "Benzyl 2(S)-[(tert-butoxycarbonyl)amino]-4-oxo-pentanoate")
