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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 5hMH8b1KfeZ
InChI InChI=1S/C21H17N5O3S/c27-19(25-14-6-7-17-18(10-14)29-9-8-28-17)12-30-21-16-11-24-26(20(16)22-13-23-21)15-4-2-1-3-5-15/h1-7,10-11,13H,8-9,12H2,(H,25,27)
InChIKey DGZYHTNXAXJNSH-UHFFFAOYSA-N
Mol Weight 419.46 g/mol
Molecular Formula C21H17N5O3S
Exact Mass 419.105211 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7NV9BZVRIGk
Name N-(2,3-dihydro-1,4-benzodioxin-6-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/C21H17N5O3S/c27-19(25-14-6-7-17-18(10-14)29-9-8-28-17)12-30-21-16-11-24-26(20(16)22-13-23-21)15-4-2-1-3-5-15/h1-7,10-11,13H,8-9,12H2,(H,25,27)
InChIKey DGZYHTNXAXJNSH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26171
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: D62063; Labnumber: UDSG-05684; SBI_ID: SBI-026175
Temperature 308 °C