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2-(Phenylmethyl)-4H-1,4-benzothiazin-3-one

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

2-(Phenylmethyl)-4H-1,4-benzothiazin-3-one
SpectraBase Compound ID JvAen3yMhs6
InChI InChI=1S/C15H13NOS/c17-15-14(10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)
InChIKey GPHJQBBJVYELEE-UHFFFAOYSA-N
Mol Weight 255.33 g/mol
Molecular Formula C15H13NOS
Exact Mass 255.071785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BwUvXLFwZDo
Name 2-(Phenylmethyl)-4H-1,4-benzothiazin-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.071785216 u
Formula C15H13NOS
InChI InChI=1S/C15H13NOS/c17-15-14(10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-9,14H,10H2,(H,16,17)
InChIKey GPHJQBBJVYELEE-UHFFFAOYSA-N
Molecular Weight 255.335 g/mol
SMILES C1(NC=2C(SC1CC=1C=CC=CC1)=CC=CC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904351