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4-[4-(benzyloxy)phenyl]-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID AHXWV0T4uoS
InChI InChI=1S/C26H23N3O2S/c1-18-24-25(20-12-14-22(15-13-20)31-16-19-8-4-2-5-9-19)32-17-23(30)27-26(24)29(28-18)21-10-6-3-7-11-21/h2-15,25H,16-17H2,1H3,(H,27,30)
InChIKey WLCTWGQCBPAZPJ-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C26H23N3O2S
Exact Mass 441.151098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ASq1LSWC9g3
Name 4-[4-(benzyloxy)phenyl]-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/C26H23N3O2S/c1-18-24-25(20-12-14-22(15-13-20)31-16-19-8-4-2-5-9-19)32-17-23(30)27-26(24)29(28-18)21-10-6-3-7-11-21/h2-15,25H,16-17H2,1H3,(H,27,30)
InChIKey WLCTWGQCBPAZPJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20578
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: D18365; Labnumber: AMIR2-0762; SBI_ID: SBI-020582
Temperature 318 °C