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4-(4-methoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID HmCfBWA0IYR
InChI InChI=1S/C20H19N3O2S/c1-13-18-19(14-8-10-16(25-2)11-9-14)26-12-17(24)21-20(18)23(22-13)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H,21,24)
InChIKey BKHJNSOULRVGNE-UHFFFAOYSA-N
Mol Weight 365.45 g/mol
Molecular Formula C20H19N3O2S
Exact Mass 365.119798 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYOERwIinmB
Name 4-(4-methoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-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/C20H19N3O2S/c1-13-18-19(14-8-10-16(25-2)11-9-14)26-12-17(24)21-20(18)23(22-13)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H,21,24)
InChIKey BKHJNSOULRVGNE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3380
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: 112055; Labnumber: AMIR-1419; VK_ID: VK-003381
Temperature 318 °C