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5-(1-Adamantylamino)-4-cyano-4H-1,2,3-triazole-4-carboxylic acid, methyl ester

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5-(1-Adamantylamino)-4-cyano-4H-1,2,3-triazole-4-carboxylic acid, methyl ester
SpectraBase Compound ID HVkfcnYgbaQ
InChI InChI=1S/C15H19N5O2/c1-22-13(21)15(8-16)12(18-20-19-15)17-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H,17,18,19)
InChIKey CMWFSHGYTOBZQH-UHFFFAOYSA-N
Mol Weight 301.35 g/mol
Molecular Formula C15H19N5O2
Exact Mass 301.153875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1a7h6xp82UN
Name 5-(1-Adamantylamino)-4-cyano-4H-1,2,3-triazole-4-carboxylic acid, methyl ester
CAS Registry Number 102109-00-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H19N5O2
InChI InChI=1S/C15H19N5O2/c1-22-13(21)15(8-16)12(18-20-19-15)17-14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H,17,18,19)
InChIKey CMWFSHGYTOBZQH-UHFFFAOYSA-N
Literature Reference R. Carrie, D. Anion, R.W. Saalfrank, Angew. Chem. Suppl. 668 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3