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3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID C1eUn1m76dI
InChI InChI=1S/C20H20ClF3N4O2/c21-17-25-11-28(27-17)19-8-12-5-13(9-19)7-18(6-12,10-19)16(29)26-14-1-3-15(4-2-14)30-20(22,23)24/h1-4,11-13H,5-10H2,(H,26,29)
InChIKey SNVVPEWWNUKLSW-UHFFFAOYSA-N
Mol Weight 440.85 g/mol
Molecular Formula C20H20ClF3N4O2
Exact Mass 440.122688 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuVHfBmnSQH
Name 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-[4-(trifluoromethoxy)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/C20H20ClF3N4O2/c21-17-25-11-28(27-17)19-8-12-5-13(9-19)7-18(6-12,10-19)16(29)26-14-1-3-15(4-2-14)30-20(22,23)24/h1-4,11-13H,5-10H2,(H,26,29)
InChIKey SNVVPEWWNUKLSW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5597
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/9153726; Labnumber: B_AMK_AC/4375; UZI_ID: UZI-005599
Temperature 308 °C