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benzoic acid, 2-chloro-, 7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester

View entire compound with spectra: 1 NMR

benzoic acid, 2-chloro-, 7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester
SpectraBase Compound ID APKwfPeU22c
InChI InChI=1S/C21H13ClO4S/c1-12-5-4-6-13(9-12)16-10-14(11-18-19(16)26-21(24)27-18)25-20(23)15-7-2-3-8-17(15)22/h2-11H,1H3
InChIKey LITHGJAFKDBTHI-UHFFFAOYSA-N
Mol Weight 396.84 g/mol
Molecular Formula C21H13ClO4S
Exact Mass 396.022308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3u2ZXCJTDg
Name benzoic acid, 2-chloro-, 7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H13ClO4S/c1-12-5-4-6-13(9-12)16-10-14(11-18-19(16)26-21(24)27-18)25-20(23)15-7-2-3-8-17(15)22/h2-11H,1H3
InChIKey LITHGJAFKDBTHI-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1133
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/8295506; Labnumber: OBU-md00117
Temperature 297 °C