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ethyl [({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetate
SpectraBase Compound ID KQZKXSxzA03
InChI InChI=1S/C17H16ClN5O3S/c1-2-26-15(25)8-19-14(24)9-27-17-13-7-22-23(16(13)20-10-21-17)12-5-3-11(18)4-6-12/h3-7,10H,2,8-9H2,1H3,(H,19,24)
InChIKey QTHBOVPTJUVISZ-UHFFFAOYSA-N
Mol Weight 405.86 g/mol
Molecular Formula C17H16ClN5O3S
Exact Mass 405.066238 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 69mewItqLGG
Name ethyl [({[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]acetate
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/C17H16ClN5O3S/c1-2-26-15(25)8-19-14(24)9-27-17-13-7-22-23(16(13)20-10-21-17)12-5-3-11(18)4-6-12/h3-7,10H,2,8-9H2,1H3,(H,19,24)
InChIKey QTHBOVPTJUVISZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9998
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: D62354; Labnumber: UDSG-06240; SBI_ID: SBI-010001
Temperature 308 °C