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benzoic acid, 4-chloro-, 7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester

View entire compound with spectra: 1 NMR

benzoic acid, 4-chloro-, 7-(3-methylphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester
SpectraBase Compound ID DQGABLyCAwO
InChI InChI=1S/C21H13ClO4S/c1-12-3-2-4-14(9-12)17-10-16(11-18-19(17)26-21(24)27-18)25-20(23)13-5-7-15(22)8-6-13/h2-11H,1H3
InChIKey OECCRRRTGFICRG-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 5l0F2pqsFZO
Name benzoic acid, 4-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/c1-12-3-2-4-14(9-12)17-10-16(11-18-19(17)26-21(24)27-18)25-20(23)13-5-7-15(22)8-6-13/h2-11H,1H3
InChIKey OECCRRRTGFICRG-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1137
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/8295512; Labnumber: OBU-md00123
Temperature 297 °C