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object
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_id
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HpU5MwM8P0f
spectrumID
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HpU5MwM8P0f
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specType
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NY2X:81697:1
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analyticalTechnique
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1H NMR
analyticalTechniqueLongName
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SpectraBase Compound ID 3t5XVqlH1AJ
InChI InChI=1S/C23H23N5OS/c1-3-18-11-7-8-16(2)21(18)27-20(29)14-30-23-19-12-26-28(22(19)24-15-25-23)13-17-9-5-4-6-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,27,29)
InChIKey MRRDJMCVMDHGHE-UHFFFAOYSA-N
Mol Weight 417.53 g/mol
Molecular Formula C23H23N5OS
Exact Mass 417.162332 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HpU5MwM8P0f
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H23N5OS/c1-3-18-11-7-8-16(2)21(18)27-20(29)14-30-23-19-12-26-28(22(19)24-15-25-23)13-17-9-5-4-6-10-17/h4-12,15H,3,13-14H2,1-2H3,(H,27,29)
InChIKey MRRDJMCVMDHGHE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26201
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: D62505; Labnumber: UDSG-06725; SBI_ID: SBI-026205
Temperature 308 °C
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