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3-(1-adamantyl)-4-amino-5-(4-fluorobenzylthio)-4H-1,2,4-triazole

View entire compound with spectra: 1 NMR

3-(1-adamantyl)-4-amino-5-(4-fluorobenzylthio)-4H-1,2,4-triazole
SpectraBase Compound ID 9WFq7vHeIEf
InChI InChI=1S/C19H23FN4S/c20-16-3-1-12(2-4-16)11-25-18-23-22-17(24(18)21)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11,21H2/t13-,14+,15-,19-
InChIKey HXGHMZKATCTQRX-CSVIQDERSA-N
Mol Weight 358.48 g/mol
Molecular Formula C19H23FN4S
Exact Mass 358.162746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6x2j34mWdKx
Name 3-(1-adamantyl)-4-amino-5-(4-fluorobenzylthio)-4H-1,2,4-triazole
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H23FN4S
InChI InChI=1S/C19H23FN4S/c20-16-3-1-12(2-4-16)11-25-18-23-22-17(24(18)21)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,13-15H,5-11,21H2/t13-,14+,15-,19-
InChIKey HXGHMZKATCTQRX-CSVIQDERSA-N
Instrument Name Bruker AM-300
NMR Standard DMSO-d5 1H
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-d6