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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1-adamantanecarboxamide

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3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 7SfOn96GRXQ
InChI InChI=1S/C17H20BrN5OS/c1-10-7-19-15(25-10)21-13(24)16-3-11-2-12(4-16)6-17(5-11,8-16)23-9-20-14(18)22-23/h7,9,11-12H,2-6,8H2,1H3,(H,19,21,24)/t11-,12+,16+,17-
InChIKey FCDIQWRUVJMVFV-PRRDBKRISA-N
Mol Weight 422.35 g/mol
Molecular Formula C17H20BrN5OS
Exact Mass 421.057194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EHTKwskLyYk
Name 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(5-methyl-1,3-thiazol-2-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/C17H20BrN5OS/c1-10-7-19-15(25-10)21-13(24)16-3-11-2-12(4-16)6-17(5-11,8-16)23-9-20-14(18)22-23/h7,9,11-12H,2-6,8H2,1H3,(H,19,21,24)/t11-,12+,16+,17-
InChIKey FCDIQWRUVJMVFV-PRRDBKRISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19841
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/9151726; UBI_ID: UBI-019845
Temperature 308 °C