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4-(2-Oxo-2-phenylethyl)-2H-1,4-benzothiazin-3(4H)-one

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4-(2-Oxo-2-phenylethyl)-2H-1,4-benzothiazin-3(4H)-one
SpectraBase Compound ID 8olszauNlDP
InChI InChI=1S/C16H13NO2S/c18-14(12-6-2-1-3-7-12)10-17-13-8-4-5-9-15(13)20-11-16(17)19/h1-9H,10-11H2
InChIKey QBKDTTWWGUBUGB-UHFFFAOYSA-N
Mol Weight 283.35 g/mol
Molecular Formula C16H13NO2S
Exact Mass 283.0667 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CUI2lyNhJKv
Name 4-(2-oxo-2-Phenylethyl)-2H-1,4-benzothiazin-3(4H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.066699835 u
Formula C16H13NO2S
InChI InChI=1S/C16H13NO2S/c18-14(12-6-2-1-3-7-12)10-17-13-8-4-5-9-15(13)20-11-16(17)19/h1-9H,10-11H2
InChIKey QBKDTTWWGUBUGB-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)N(C(CS2)=O)CC(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8844