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3-(Phenoxymethyl)-1,3-benzothiazol-2(3H)-one

View entire compound with spectra: 1 FTIR

3-(Phenoxymethyl)-1,3-benzothiazol-2(3H)-one
SpectraBase Compound ID 13dQVxCdBX0
InChI InChI=1S/C14H11NO2S/c16-14-15(10-17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9H,10H2
InChIKey IRGYDGKLOPGGBS-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C14H11NO2S
Exact Mass 257.05105 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CiaYuUyotDd
Name 3-(Phenoxymethyl)-1,3-benzothiazol-2(3H)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.051049770 u
Formula C14H11NO2S
InChI InChI=1S/C14H11NO2S/c16-14-15(10-17-11-6-2-1-3-7-11)12-8-4-5-9-13(12)18-14/h1-9H,10H2
InChIKey IRGYDGKLOPGGBS-UHFFFAOYSA-N
Molecular Weight 257.307 g/mol
SMILES C(N1C2=CC=CC=C2SC1=O)OC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931845