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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(4-morpholinylsulfonyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID KTPPbgC9zGR
InChI InChI=1S/C23H28ClN5O4S/c24-21-25-15-29(27-21)23-12-16-8-17(13-23)11-22(10-16,14-23)20(30)26-18-2-1-3-19(9-18)34(31,32)28-4-6-33-7-5-28/h1-3,9,15-17H,4-8,10-14H2,(H,26,30)
InChIKey RUDDIZJMSKPGHV-UHFFFAOYSA-N
Mol Weight 506.02 g/mol
Molecular Formula C23H28ClN5O4S
Exact Mass 505.155053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5LyxBOg96M2
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[3-(4-morpholinylsulfonyl)phenyl]-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/C23H28ClN5O4S/c24-21-25-15-29(27-21)23-12-16-8-17(13-23)11-22(10-16,14-23)20(30)26-18-2-1-3-19(9-18)34(31,32)28-4-6-33-7-5-28/h1-3,9,15-17H,4-8,10-14H2,(H,26,30)
InChIKey RUDDIZJMSKPGHV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20474
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/9168741; UBI_ID: UBI-020478
Temperature 308 °C