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2-chloro-5-[({[5-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic acid
SpectraBase Compound ID FBiQjTLwjsM
InChI InChI=1S/C22H16ClN3O4S2/c1-11-2-4-12(5-3-11)15-9-31-20-18(15)19(28)25-22(26-20)32-10-17(27)24-13-6-7-16(23)14(8-13)21(29)30/h2-9H,10H2,1H3,(H,24,27)(H,29,30)(H,25,26,28)
InChIKey JHWIKZFINTTZOV-UHFFFAOYSA-N
Mol Weight 485.96 g/mol
Molecular Formula C22H16ClN3O4S2
Exact Mass 485.027076 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wYZidbKpwv
Name 2-chloro-5-[({[5-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]benzoic 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/C22H16ClN3O4S2/c1-11-2-4-12(5-3-11)15-9-31-20-18(15)19(28)25-22(26-20)32-10-17(27)24-13-6-7-16(23)14(8-13)21(29)30/h2-9H,10H2,1H3,(H,24,27)(H,29,30)(H,25,26,28)
InChIKey JHWIKZFINTTZOV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35824
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: E94369; SBI_ID: SBI-035828
Temperature 308 °C