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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{4-[(methylamino)sulfonyl]phenyl}-1-adamantanecarboxamide
SpectraBase Compound ID EsOPsDj4omI
InChI InChI=1S/C20H24BrN5O3S/c1-22-30(28,29)16-4-2-15(3-5-16)24-17(27)19-7-13-6-14(8-19)10-20(9-13,11-19)26-12-23-18(21)25-26/h2-5,12-14,22H,6-11H2,1H3,(H,24,27)/t13-,14+,19+,20-
InChIKey WCGMBRPMQWMESB-GOFCXKROSA-N
Mol Weight 494.41 g/mol
Molecular Formula C20H24BrN5O3S
Exact Mass 493.078324 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3N92CuN2per
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-{4-[(methylamino)sulfonyl]phenyl}-1-adamantanecarboxamide
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/C20H24BrN5O3S/c1-22-30(28,29)16-4-2-15(3-5-16)24-17(27)19-7-13-6-14(8-19)10-20(9-13,11-19)26-12-23-18(21)25-26/h2-5,12-14,22H,6-11H2,1H3,(H,24,27)/t13-,14+,19+,20-
InChIKey WCGMBRPMQWMESB-GOFCXKROSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5583
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: UZI/9182877; Labnumber: B_AMK_AC/4034; UZI_ID: UZI-005585
Temperature 308 °C