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N-{4-[(methylamino)sulfonyl]phenyl}-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 7r26hpJNzbZ
InChI InChI=1S/C20H24N6O5S/c1-21-32(30,31)16-4-2-15(3-5-16)23-17(27)19-7-13-6-14(8-19)10-20(9-13,11-19)25-12-22-18(24-25)26(28)29/h2-5,12-14,21H,6-11H2,1H3,(H,23,27)/t13-,14+,19+,20-
InChIKey HLWUWYBAWRRJSN-GOFCXKROSA-N
Mol Weight 460.51 g/mol
Molecular Formula C20H24N6O5S
Exact Mass 460.152889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AxOy1BM1Knh
Name N-{4-[(methylamino)sulfonyl]phenyl}-3-(3-nitro-1H-1,2,4-triazol-1-yl)-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/C20H24N6O5S/c1-21-32(30,31)16-4-2-15(3-5-16)23-17(27)19-7-13-6-14(8-19)10-20(9-13,11-19)25-12-22-18(24-25)26(28)29/h2-5,12-14,21H,6-11H2,1H3,(H,23,27)/t13-,14+,19+,20-
InChIKey HLWUWYBAWRRJSN-GOFCXKROSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20121
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/9158169; UBI_ID: UBI-020125
Temperature 308 °C