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3-{[(2Z)-5-(4-bromophenyl)-1,3-oxathiol-2-ylidene]amino}-4-methylbenzoic acid
SpectraBase Compound ID 1FLs1vDCMXv
InChI InChI=1S/C17H12BrNO3S/c1-10-2-3-12(16(20)21)8-14(10)19-17-22-15(9-23-17)11-4-6-13(18)7-5-11/h2-9H,1H3,(H,20,21)/b19-17-
InChIKey SFDLJKOAZIJVPD-ZPHPHTNESA-N
Mol Weight 390.25 g/mol
Molecular Formula C17H12BrNO3S
Exact Mass 388.972127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lCfPB7QriR
Name 3-{[(2Z)-5-(4-bromophenyl)-1,3-oxathiol-2-ylidene]amino}-4-methylbenzoic acid
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/C17H12BrNO3S/c1-10-2-3-12(16(20)21)8-14(10)19-17-22-15(9-23-17)11-4-6-13(18)7-5-11/h2-9H,1H3,(H,20,21)/b19-17-
InChIKey SFDLJKOAZIJVPD-ZPHPHTNESA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_2175
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/9251582; Labnumber: L-19,Lebedev