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1-(1-adamantyl)-4-chloro-N-[4-(2-toluidinosulfonyl)phenyl]-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 2UcfiBlDplN
InChI InChI=1S/C27H29ClN4O3S/c1-17-4-2-3-5-24(17)31-36(34,35)22-8-6-21(7-9-22)29-26(33)25-23(28)16-32(30-25)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,16,18-20,31H,10-15H2,1H3,(H,29,33)/t18-,19+,20-,27-
InChIKey BBLHIEMZLBKAAM-ACFKOILWSA-N
Mol Weight 525.07 g/mol
Molecular Formula C27H29ClN4O3S
Exact Mass 524.16489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9dhx22apmdh
Name 1-(1-adamantyl)-4-chloro-N-[4-(2-toluidinosulfonyl)phenyl]-1H-pyrazole-3-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/C27H29ClN4O3S/c1-17-4-2-3-5-24(17)31-36(34,35)22-8-6-21(7-9-22)29-26(33)25-23(28)16-32(30-25)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,16,18-20,31H,10-15H2,1H3,(H,29,33)/t18-,19+,20-,27-
InChIKey BBLHIEMZLBKAAM-ACFKOILWSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11397
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/9090986; UBI_ID: UBI-011400
Temperature 313 °C