SpectraBase Spectrum ID |
8UZBg8aAJ1g |
Name |
2-Phenyl-5,7,8,8A-tetrahydroimidazo[1,5-C][1,3]thiazine-1,3-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.061948806 u |
Formula |
C12H12N2O2S |
InChI |
InChI=1S/C12H12N2O2S/c15-11-10-6-7-17-8-13(10)12(16)14(11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChIKey |
MCAPLTNKUWRKLH-UHFFFAOYSA-N |
Molecular Weight |
248.300 g/mol |
SMILES |
C1(=O)N(C(=O)N2C1CCSC2)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957409 |