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3-methyl-4-(3-nitrophenyl)-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID HyRNL5yUPuB
InChI InChI=1S/C19H16N4O3S/c1-12-17-18(13-6-5-9-15(10-13)23(25)26)27-11-16(24)20-19(17)22(21-12)14-7-3-2-4-8-14/h2-10,18H,11H2,1H3,(H,20,24)
InChIKey OWMJIFZLWAKKIZ-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C19H16N4O3S
Exact Mass 380.094312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lj8lQvRImll
Name 3-methyl-4-(3-nitrophenyl)-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/C19H16N4O3S/c1-12-17-18(13-6-5-9-15(10-13)23(25)26)27-11-16(24)20-19(17)22(21-12)14-7-3-2-4-8-14/h2-10,18H,11H2,1H3,(H,20,24)
InChIKey OWMJIFZLWAKKIZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20089
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: D18357; Labnumber: AMIR2-0752; SBI_ID: SBI-020093
Temperature 306 °C