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methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
SpectraBase Compound ID DrNXvBFo7Dl
InChI InChI=1S/C22H19N5O3S/c1-30-22(29)16-7-9-17(10-8-16)26-19(28)13-31-21-18-11-25-27(20(18)23-14-24-21)12-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3,(H,26,28)
InChIKey GKWFZDFNMYBYOL-UHFFFAOYSA-N
Mol Weight 433.49 g/mol
Molecular Formula C22H19N5O3S
Exact Mass 433.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GE39l7w6PuS
Name methyl 4-({[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate
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/C22H19N5O3S/c1-30-22(29)16-7-9-17(10-8-16)26-19(28)13-31-21-18-11-25-27(20(18)23-14-24-21)12-15-5-3-2-4-6-15/h2-11,14H,12-13H2,1H3,(H,26,28)
InChIKey GKWFZDFNMYBYOL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10050
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: D62474; Labnumber: UDSG-06680; SBI_ID: SBI-010053
Temperature 318 °C