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4-(4-butoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID IdUaQHRp7tG
InChI InChI=1S/C23H25N3O2S/c1-3-4-14-28-19-12-10-17(11-13-19)22-21-16(2)25-26(18-8-6-5-7-9-18)23(21)24-20(27)15-29-22/h5-13,22H,3-4,14-15H2,1-2H3,(H,24,27)
InChIKey CYVCCQHXJIXIHT-UHFFFAOYSA-N
Mol Weight 407.53 g/mol
Molecular Formula C23H25N3O2S
Exact Mass 407.166748 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KnmrUw1nLu9
Name 4-(4-butoxyphenyl)-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/C23H25N3O2S/c1-3-4-14-28-19-12-10-17(11-13-19)22-21-16(2)25-26(18-8-6-5-7-9-18)23(21)24-20(27)15-29-22/h5-13,22H,3-4,14-15H2,1-2H3,(H,24,27)
InChIKey CYVCCQHXJIXIHT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20574
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: D18360; Labnumber: AMIR2-0756; SBI_ID: SBI-020578
Temperature 318 °C