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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
SpectraBase Compound ID Lbx19Cs2o8i
InChI InChI=1S/C29H33BrN4O3S/c1-18-27(30)19(2)34(32-18)17-20-3-5-24(6-4-20)28(35)31-25-7-9-26(10-8-25)38(36,37)33-29-14-21-11-22(15-29)13-23(12-21)16-29/h3-10,21-23,33H,11-17H2,1-2H3,(H,31,35)/t21-,22+,23-,29-
InChIKey BXQHUASBOFDRIE-SJNZTUBNSA-N
Mol Weight 597.6 g/mol
Molecular Formula C29H33BrN4O3S
Exact Mass 596.145675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H6ZazEOZc10
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamide
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/C29H33BrN4O3S/c1-18-27(30)19(2)34(32-18)17-20-3-5-24(6-4-20)28(35)31-25-7-9-26(10-8-25)38(36,37)33-29-14-21-11-22(15-29)13-23(12-21)16-29/h3-10,21-23,33H,11-17H2,1-2H3,(H,31,35)/t21-,22+,23-,29-
InChIKey BXQHUASBOFDRIE-SJNZTUBNSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10589
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/9073521; UBI_ID: UBI-010592
Temperature 308 °C