| SpectraBase Spectrum ID |
7U2ZBzCpY69 |
| Name |
1-[2-(3,3-Dimethyl-2-oxo-butyl)-2-hydroxy-4H-benzo[1,4]thiazin-3-ylidene]-3,3-dimethyl-butan-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.171164904 u |
| Formula |
C20H27NO3S |
| InChI |
InChI=1S/C20H27NO3S/c1-18(2,3)16(22)11-15-20(24,12-17(23)19(4,5)6)25-14-10-8-7-9-13(14)21-15/h7-11,21,24H,12H2,1-6H3/b15-11- |
| InChIKey |
JUPVHJSNPBLYQW-PTNGSMBKSA-N |
| Molecular Weight |
361.500 g/mol |
| SMILES |
C1(\C(NC=2C(S1)=CC=CC2)=C\C(C(C)(C)C)=O)(CC(C(C)(C)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909165 |
![1-[2-(3,3-Dimethyl-2-oxo-butyl)-2-hydroxy-4H-benzo[1,4]thiazin-3-ylidene]-3,3-dimethyl-butan-2-one](/api/spectrum/7U2ZBzCpY69/structure.png?h=300&w=458 "1-[2-(3,3-Dimethyl-2-oxo-butyl)-2-hydroxy-4H-benzo[1,4]thiazin-3-ylidene]-3,3-dimethyl-butan-2-one")
