| SpectraBase Spectrum ID |
DYyMPYqxCDp |
| Name |
L-Methionine, N-benzyloxycarbonyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.119129330 u |
| Formula |
C15H21NO4S |
| InChI |
InChI=1S/C15H21NO4S/c1-3-19-14(17)13(9-10-21-2)16-15(18)20-11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,18) |
| InChIKey |
JPAQSVZMFNEYDK-UHFFFAOYSA-N |
| Molecular Weight |
311.396 g/mol |
| SMILES |
C1=CC=CC=C1COC(NC(CCSC)C(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805913 |
