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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
SpectraBase Compound ID 6vlD9NLAJnG
InChI InChI=1S/C22H27N5O5S/c1-13-19(27(29)30)20(26(2)24-13)21(28)23-17-3-5-18(6-4-17)33(31,32)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,25H,7-12H2,1-2H3,(H,23,28)/t14-,15+,16-,22-
InChIKey PJBZDDZZJUMEDW-OFWUGVANSA-N
Mol Weight 473.55 g/mol
Molecular Formula C22H27N5O5S
Exact Mass 473.17329 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9qCkmeaLwzp
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-1,3-dimethyl-4-nitro-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/C22H27N5O5S/c1-13-19(27(29)30)20(26(2)24-13)21(28)23-17-3-5-18(6-4-17)33(31,32)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16,25H,7-12H2,1-2H3,(H,23,28)/t14-,15+,16-,22-
InChIKey PJBZDDZZJUMEDW-OFWUGVANSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19197
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/9137397; UBI_ID: UBI-019200
Temperature 308 °C