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

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N-(5-fluoro-2-methylphenyl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 8F2Sy7I5hZW
InChI InChI=1S/C20H22FN5O3/c1-12-2-3-15(21)5-16(12)23-17(27)19-6-13-4-14(7-19)9-20(8-13,10-19)25-11-22-18(24-25)26(28)29/h2-3,5,11,13-14H,4,6-10H2,1H3,(H,23,27)/t13-,14+,19+,20-
InChIKey POLUWGNLEJLPFT-GOFCXKROSA-N
Mol Weight 399.43 g/mol
Molecular Formula C20H22FN5O3
Exact Mass 399.170668 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CyQB6BldN31
Name N-(5-fluoro-2-methylphenyl)-3-(3-nitro-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/C20H22FN5O3/c1-12-2-3-15(21)5-16(12)23-17(27)19-6-13-4-14(7-19)9-20(8-13,10-19)25-11-22-18(24-25)26(28)29/h2-3,5,11,13-14H,4,6-10H2,1H3,(H,23,27)/t13-,14+,19+,20-
InChIKey POLUWGNLEJLPFT-GOFCXKROSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19616
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/9146222; UBI_ID: UBI-019620
Temperature 308 °C