| SpectraBase Spectrum ID |
6WRhNQcjPzo |
| Name |
N-Methyl-N-tert.-butylthiomethylaspartic acid dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.134779395 u |
| Formula |
C12H23NO4S |
| InChI |
InChI=1S/C12H23NO4S/c1-12(2,3)18-8-13(4)9(11(15)17-6)7-10(14)16-5/h9H,7-8H2,1-6H3 |
| InChIKey |
PTXIXBQXXBXIII-UHFFFAOYSA-N |
| Molecular Weight |
277.379 g/mol |
| SMILES |
C(SCN(C(C(=O)OC)CC(OC)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936601 |
