| SpectraBase Spectrum ID |
C7rsL16Szr7 |
| Name |
(2S)-Methyl 2-(N-tert-butoxycarbonylamino)-4-oxo-4-phenylbutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.141972775 u |
| Formula |
C16H21NO5 |
| InChI |
InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-12(14(19)21-4)10-13(18)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,17,20)/t12-/m0/s1 |
| InChIKey |
XJTLAFARPRUEMI-LBPRGKRZSA-N |
| Molecular Weight |
307.346 g/mol |
| SMILES |
C(N[C@@](CC(=O)C1=CC=CC=C1)(C(=O)OC)[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966467 |
