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

View entire compound with spectra: 1 NMR

benzoic acid, 2-chloro-, 7-(4-methoxyphenyl)-2-oxo-1,3-benzoxathiol-5-yl ester
SpectraBase Compound ID 1IE3usySbFK
InChI InChI=1S/C21H13ClO5S/c1-25-13-8-6-12(7-9-13)16-10-14(11-18-19(16)27-21(24)28-18)26-20(23)15-4-2-3-5-17(15)22/h2-11H,1H3
InChIKey QZJDHXVYHOPIKY-UHFFFAOYSA-N
Mol Weight 412.84 g/mol
Molecular Formula C21H13ClO5S
Exact Mass 412.017222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1SYjKRmgLD1
Name benzoic acid, 2-chloro-, 7-(4-methoxyphenyl)-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/C21H13ClO5S/c1-25-13-8-6-12(7-9-13)16-10-14(11-18-19(16)27-21(24)28-18)26-20(23)15-4-2-3-5-17(15)22/h2-11H,1H3
InChIKey QZJDHXVYHOPIKY-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1135
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/8295508; Labnumber: OBU-md00119
Temperature 297 °C