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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 5lZPxkBVTSs
InChI InChI=1S/C22H27BrN4O3S/c1-13-19(23)20(27(2)25-13)21(28)24-17-3-5-18(6-4-17)31(29,30)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,26H,7-12H2,1-2H3,(H,24,28)/t14-,15+,16-,22-
InChIKey SVHQROLGRUFHQQ-OFWUGVANSA-N
Mol Weight 507.45 g/mol
Molecular Formula C22H27BrN4O3S
Exact Mass 506.098725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3x4t99KtUH
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxamide
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/C22H27BrN4O3S/c1-13-19(23)20(27(2)25-13)21(28)24-17-3-5-18(6-4-17)31(29,30)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,26H,7-12H2,1-2H3,(H,24,28)/t14-,15+,16-,22-
InChIKey SVHQROLGRUFHQQ-OFWUGVANSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19560
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/9144981; UBI_ID: UBI-019564
Temperature 308 °C