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N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID CDZ0QqhAw1i
InChI InChI=1S/C20H15N5O3S/c26-18(24-13-6-7-16-17(8-13)28-12-27-16)10-29-20-15-9-23-25(19(15)21-11-22-20)14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H,24,26)
InChIKey XHOWQCGJQWKRTR-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C20H15N5O3S
Exact Mass 405.089561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L1kAkNfkj5q
Name N-(1,3-benzodioxol-5-yl)-2-[(1-phenyl-1H-pyrazolo[3,4-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/C20H15N5O3S/c26-18(24-13-6-7-16-17(8-13)28-12-27-16)10-29-20-15-9-23-25(19(15)21-11-22-20)14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H,24,26)
InChIKey XHOWQCGJQWKRTR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26169
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: D62061; Labnumber: UDSG-05682; SBI_ID: SBI-026173
Temperature 308 °C