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1-(4-Amino-furazan-3-yl)-5-dibutylaminomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(4-Amino-furazan-3-yl)-5-dibutylaminomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID LswahVftyC3
InChI InChI=1S/C16H27N7O3/c1-4-7-9-22(10-8-5-2)11-12-13(16(24)25-6-3)18-21-23(12)15-14(17)19-26-20-15/h4-11H2,1-3H3,(H2,17,19)
InChIKey RROJTSQMIMHOBQ-UHFFFAOYSA-N
Mol Weight 365.44 g/mol
Molecular Formula C16H27N7O3
Exact Mass 365.217538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtRaDoCbGhE
Name 1-(4-Amino-furazan-3-yl)-5-dibutylaminomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.217537754 u
Formula C16H27N7O3
InChI InChI=1S/C16H27N7O3/c1-4-7-9-22(10-8-5-2)11-12-13(16(24)25-6-3)18-21-23(12)15-14(17)19-26-20-15/h4-11H2,1-3H3,(H2,17,19)
InChIKey RROJTSQMIMHOBQ-UHFFFAOYSA-N
Molecular Weight 365.438 g/mol
SMILES CCCCN(CC=1N(C=2C(=NON2)N)N=NC1C(=O)OCC)CCCC