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Methyl N-(2-oxo-1,3-benzoxathiol-6-yl)carbamate

View entire compound with spectra: 1 FTIR

Methyl N-(2-oxo-1,3-benzoxathiol-6-yl)carbamate
SpectraBase Compound ID WEnO43szAW
InChI InChI=1S/C9H7NO4S/c1-13-8(11)10-5-2-3-7-6(4-5)14-9(12)15-7/h2-4H,1H3,(H,10,11)
InChIKey HJFUTVSYMGQDRZ-UHFFFAOYSA-N
Mol Weight 225.22 g/mol
Molecular Formula C9H7NO4S
Exact Mass 225.009579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWv3AA0cGW1
Name Methyl N-(2-oxo-1,3-benzoxathiol-6-yl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.009578879 u
Formula C9H7NO4S
InChI InChI=1S/C9H7NO4S/c1-13-8(11)10-5-2-3-7-6(4-5)14-9(12)15-7/h2-4H,1H3,(H,10,11)
InChIKey HJFUTVSYMGQDRZ-UHFFFAOYSA-N
Molecular Weight 225.218 g/mol
SMILES C1=C(C=C2C(=C1)SC(O2)=O)NC(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961887