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2-{[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-4,6-pyrimidinediamine
SpectraBase Compound ID JnaxrikF7R2
InChI InChI=1S/C20H18N6OS/c21-15-11-16(22)24-20(23-15)28-12-17-25-19(26-27-17)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H4,21,22,23,24)
InChIKey KUBYVUQDROAWOL-UHFFFAOYSA-N
Mol Weight 390.47 g/mol
Molecular Formula C20H18N6OS
Exact Mass 390.12628 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 78DoM0Gq38z
Name 2-{[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-4,6-pyrimidinediamine
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/C20H18N6OS/c21-15-11-16(22)24-20(23-15)28-12-17-25-19(26-27-17)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,18H,12H2,(H4,21,22,23,24)
InChIKey KUBYVUQDROAWOL-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3532
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: 9314875; UBI_ID: UBI-003533
Synonyms 6-amino-2-{[(3-benzhydryl-1,2,4-oxadiazol-5-yl)methyl]sulfanyl}-4-pyrimidinylamine
Temperature 308 °C