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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-fluoro-5-methylphenyl)-1-adamantanecarboxamide

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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-fluoro-5-methylphenyl)-1-adamantanecarboxamide
SpectraBase Compound ID EHX401pOvWN
InChI InChI=1S/C20H22ClFN4O/c1-12-2-3-15(22)16(4-12)24-17(27)19-6-13-5-14(7-19)9-20(8-13,10-19)26-11-23-18(21)25-26/h2-4,11,13-14H,5-10H2,1H3,(H,24,27)
InChIKey LQGSWQWKBQILKK-UHFFFAOYSA-N
Mol Weight 388.87 g/mol
Molecular Formula C20H22ClFN4O
Exact Mass 388.146617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GFcmEnvENtb
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(2-fluoro-5-methylphenyl)-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/C20H22ClFN4O/c1-12-2-3-15(22)16(4-12)24-17(27)19-6-13-5-14(7-19)9-20(8-13,10-19)26-11-23-18(21)25-26/h2-4,11,13-14H,5-10H2,1H3,(H,24,27)
InChIKey LQGSWQWKBQILKK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19317
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/9139884; UBI_ID: UBI-019321
Temperature 318 °C