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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1-adamantanecarboxamide
SpectraBase Compound ID 6qU7hJPu9B8
InChI InChI=1S/C24H27BrN6O4S/c1-14-15(2)29-35-20(14)30-36(33,34)19-5-3-18(4-6-19)27-21(32)23-8-16-7-17(9-23)11-24(10-16,12-23)31-13-26-22(25)28-31/h3-6,13,16-17,30H,7-12H2,1-2H3,(H,27,32)/t16-,17+,23+,24-
InChIKey ROGWPNLGGPTCBZ-NBKKPGCJSA-N
Mol Weight 575.48 g/mol
Molecular Formula C24H27BrN6O4S
Exact Mass 574.099788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1M9fVQo4DZP
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]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/C24H27BrN6O4S/c1-14-15(2)29-35-20(14)30-36(33,34)19-5-3-18(4-6-19)27-21(32)23-8-16-7-17(9-23)11-24(10-16,12-23)31-13-26-22(25)28-31/h3-6,13,16-17,30H,7-12H2,1-2H3,(H,27,32)/t16-,17+,23+,24-
InChIKey ROGWPNLGGPTCBZ-NBKKPGCJSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_3911
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/9181533; Labnumber: BAC_UAMK/020774; UZI_ID: UZI-003913
Temperature 308 °C