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6-Methyl-4-pyrimido[2,1-b][1,3]benzothiazolone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

6-Methyl-4-pyrimido[2,1-b][1,3]benzothiazolone
SpectraBase Compound ID I4xPF81eM2y
InChI InChI=1S/C11H8N2OS/c1-7-3-2-4-8-10(7)13-9(14)5-6-12-11(13)15-8/h2-6H,1H3
InChIKey BCRHEMTYIVSLTI-UHFFFAOYSA-N
Mol Weight 216.26 g/mol
Molecular Formula C11H8N2OS
Exact Mass 216.035734 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GKMT8IEKapu
Name 6-Methyl-4-pyrimido[2,1-B][1,3]benzothiazolone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.035734059 u
Formula C11H8N2OS
InChI InChI=1S/C11H8N2OS/c1-7-3-2-4-8-10(7)13-9(14)5-6-12-11(13)15-8/h2-6H,1H3
InChIKey BCRHEMTYIVSLTI-UHFFFAOYSA-N
Molecular Weight 216.258 g/mol
SMILES C=12SC=3C(N2C(C=CN1)=O)=C(C=CC3)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950413