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4-(3,4-dimethoxyphenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID GXZdbYTEYY4
InChI InChI=1S/C21H21N3O3S/c1-13-19-20(14-9-10-16(26-2)17(11-14)27-3)28-12-18(25)22-21(19)24(23-13)15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3,(H,22,25)
InChIKey FGLWCBSGEYDKHZ-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OQi8MXZLQB
Name 4-(3,4-dimethoxyphenyl)-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/C21H21N3O3S/c1-13-19-20(14-9-10-16(26-2)17(11-14)27-3)28-12-18(25)22-21(19)24(23-13)15-7-5-4-6-8-15/h4-11,20H,12H2,1-3H3,(H,22,25)
InChIKey FGLWCBSGEYDKHZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20576
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: D18363; Labnumber: AMIR2-0760; SBI_ID: SBI-020580
Temperature 318 °C