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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID AaMTFX2P5kN
InChI InChI=1S/C20H15Cl2N5OS/c21-16-7-6-14(8-17(16)22)26-18(28)11-29-20-15-9-25-27(19(15)23-12-24-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,26,28)
InChIKey UPZSUSZREWLIQC-UHFFFAOYSA-N
Mol Weight 444.34 g/mol
Molecular Formula C20H15Cl2N5OS
Exact Mass 443.037437 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Axmy1rvPZYB
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3,4-dichlorophenyl)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/C20H15Cl2N5OS/c21-16-7-6-14(8-17(16)22)26-18(28)11-29-20-15-9-25-27(19(15)23-12-24-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,26,28)
InChIKey UPZSUSZREWLIQC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26237
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: D62548; Labnumber: UDSG-06789; SBI_ID: SBI-026241
Temperature 308 °C