| SpectraBase Spectrum ID |
EBhGzWnatIR |
| Name |
3-Benzyl-3-(2',2'-dimethyl-4',6'-dioxan-5'-ylidene)-tetrahydro-2H-(1,3)-thiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.103479266 u |
| Formula |
C17H19NO4S |
| InChI |
InChI=1S/C17H19NO4S/c1-17(2)21-15(19)13(16(20)22-17)14-18(9-6-10-23-14)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3 |
| InChIKey |
WFFSYKQRUSMBIS-UHFFFAOYSA-N |
| Molecular Weight |
333.402 g/mol |
| SMILES |
C1(=C2N(CC3=CC=CC=C3)CCCS2)C(OC(OC1=O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979983 |
