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3-methyl-1,4-diphenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID Ph7hrciOtJ
InChI InChI=1S/C19H17N3OS/c1-13-17-18(14-8-4-2-5-9-14)24-12-16(23)20-19(17)22(21-13)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3,(H,20,23)
InChIKey SWWKOIKXMPKBGN-UHFFFAOYSA-N
Mol Weight 335.43 g/mol
Molecular Formula C19H17N3OS
Exact Mass 335.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Chx2rLOGwHD
Name 1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one, 4,8-dihydro-3-methyl-1,4-diphenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.109233352 u
Formula C19H17N3OS
InChI InChI=1S/C19H17N3OS/c1-13-17-18(14-8-4-2-5-9-14)24-12-16(23)20-19(17)22(21-13)15-10-6-3-7-11-15/h2-11,18H,12H2,1H3,(H,20,23)
InChIKey SWWKOIKXMPKBGN-UHFFFAOYSA-N
Molecular Weight 335.425 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15734
Solvent DMSO-d6
Source Vendor ID: NMR/11220500; Lab Info: AMI; Lab Number: 453