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N-(4-chloro-2-methylphenyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID 7BxOCc5KY5J
InChI InChI=1S/C21H15Cl2N3OS2/c1-12-8-15(23)6-7-17(12)26-18(27)10-29-21-19-16(9-28-20(19)24-11-25-21)13-2-4-14(22)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)
InChIKey LTYJYBDDXZJMRN-UHFFFAOYSA-N
Mol Weight 460.4 g/mol
Molecular Formula C21H15Cl2N3OS2
Exact Mass 459.00336 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YulgSqRDPZ
Name N-(4-chloro-2-methylphenyl)-2-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}acetamide
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/C21H15Cl2N3OS2/c1-12-8-15(23)6-7-17(12)26-18(27)10-29-21-19-16(9-28-20(19)24-11-25-21)13-2-4-14(22)5-3-13/h2-9,11H,10H2,1H3,(H,26,27)
InChIKey LTYJYBDDXZJMRN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12433
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: D74540; Labnumber: GRESKO-2061; SBI_ID: SBI-012436
Temperature 318 °C