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N-{4-[(ethylamino)sulfonyl]phenyl}-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID Aeg55vFbjUI
InChI InChI=1S/C21H27N5O3S/c1-2-24-30(28,29)18-5-3-17(4-6-18)25-19(27)20-8-15-7-16(9-20)11-21(10-15,12-20)26-14-22-13-23-26/h3-6,13-16,24H,2,7-12H2,1H3,(H,25,27)/t15-,16+,20+,21-
InChIKey NSKKFMXMVCFONL-IFCLKOLQSA-N
Mol Weight 429.54 g/mol
Molecular Formula C21H27N5O3S
Exact Mass 429.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2uL58YANmFq
Name N-{4-[(ethylamino)sulfonyl]phenyl}-3-(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/C21H27N5O3S/c1-2-24-30(28,29)18-5-3-17(4-6-18)25-19(27)20-8-15-7-16(9-20)11-21(10-15,12-20)26-14-22-13-23-26/h3-6,13-16,24H,2,7-12H2,1H3,(H,25,27)/t15-,16+,20+,21-
InChIKey NSKKFMXMVCFONL-IFCLKOLQSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11386
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/9090391; UBI_ID: UBI-011389
Temperature 313 °C