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4-(4-bromophenyl)-3-methyl-1-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
SpectraBase Compound ID KiVyaSR4eDw
InChI InChI=1S/C19H16BrN3OS/c1-12-17-18(13-7-9-14(20)10-8-13)25-11-16(24)21-19(17)23(22-12)15-5-3-2-4-6-15/h2-10,18H,11H2,1H3,(H,21,24)
InChIKey OHXOOGVJSGASEJ-UHFFFAOYSA-N
Mol Weight 414.32 g/mol
Molecular Formula C19H16BrN3OS
Exact Mass 413.019746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gl3b6Xak51O
Name 4-(4-bromophenyl)-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/C19H16BrN3OS/c1-12-17-18(13-7-9-14(20)10-8-13)25-11-16(24)21-19(17)23(22-12)15-5-3-2-4-6-15/h2-10,18H,11H2,1H3,(H,21,24)
InChIKey OHXOOGVJSGASEJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3381
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: 112056; Labnumber: AMIR-1426; VK_ID: VK-003382
Temperature 318 °C