| SpectraBase Spectrum ID |
9MZijYjyvWy |
| Name |
Methyl 2-(cbz-amino)-2-(tetrahydrothiopyran-4-ylidene)acetate, N-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.119129330 u |
| Formula |
C17H21NO4S |
| InChI |
InChI=1S/C17H21NO4S/c1-18(17(20)22-12-13-6-4-3-5-7-13)15(16(19)21-2)14-8-10-23-11-9-14/h3-7H,8-12H2,1-2H3 |
| InChIKey |
XIQHNAGLXHTMSJ-UHFFFAOYSA-N |
| Molecular Weight |
335.418 g/mol |
| SMILES |
C1SCCC(C1)=C(N(C(=O)OCC1=CC=CC=C1)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890033 |
