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2-methyl-3-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
SpectraBase Compound ID 6A98Xmk5Im5
InChI InChI=1S/C21H17N7OS/c1-14-19(15-8-4-2-5-9-15)20-22-16(12-18(29)28(20)24-14)13-30-21-23-25-26-27(21)17-10-6-3-7-11-17/h2-12,22H,13H2,1H3
InChIKey RYRQXWUGWYPJFJ-UHFFFAOYSA-N
Mol Weight 415.48 g/mol
Molecular Formula C21H17N7OS
Exact Mass 415.121529 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kYPDIMre7c
Name 2-methyl-3-phenyl-5-{[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]methyl}pyrazolo[1,5-a]pyrimidin-7(4H)-one
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/C21H17N7OS/c1-14-19(15-8-4-2-5-9-15)20-22-16(12-18(29)28(20)24-14)13-30-21-23-25-26-27(21)17-10-6-3-7-11-17/h2-12,22H,13H2,1H3
InChIKey RYRQXWUGWYPJFJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35116
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: E83398; SBI_ID: SBI-035120
Temperature 298 °C