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3-[({[5-(4-bromophenyl)-2-furoyl]amino}carbothioyl)amino]-2-methylbenzoic acid
SpectraBase Compound ID 4Ar8IwLBs3f
InChI InChI=1S/C20H15BrN2O4S/c1-11-14(19(25)26)3-2-4-15(11)22-20(28)23-18(24)17-10-9-16(27-17)12-5-7-13(21)8-6-12/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)
InChIKey OPTOFPDMGMPAAN-UHFFFAOYSA-N
Mol Weight 459.31 g/mol
Molecular Formula C20H15BrN2O4S
Exact Mass 457.993591 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GmyqjeE3Lnf
Name 3-[({[5-(4-bromophenyl)-2-furoyl]amino}carbothioyl)amino]-2-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/C20H15BrN2O4S/c1-11-14(19(25)26)3-2-4-15(11)22-20(28)23-18(24)17-10-9-16(27-17)12-5-7-13(21)8-6-12/h2-10H,1H3,(H,25,26)(H2,22,23,24,28)
InChIKey OPTOFPDMGMPAAN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7299
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: D29044; Labnumber: SPMOS1-19542; SBI_ID: SBI-007302
Temperature 306 °C