SpectraBase Spectrum ID |
4EwGQZKNcPC |
Name |
1,2-Dihydro-3H,5H-[1,3]thiazino[3,2-A]quinazolin-6-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
218.051384123 u |
Formula |
C11H10N2OS |
InChI |
InChI=1S/C11H10N2OS/c14-10-8-4-1-2-5-9(8)13-6-3-7-15-11(13)12-10/h1-2,4-5H,3,6-7H2 |
InChIKey |
CCORJRUWCOMLBJ-UHFFFAOYSA-N |
Molecular Weight |
218.274 g/mol |
SMILES |
C12=NC(C=3C(N2CCCS1)=CC=CC3)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874516 |