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5-Undecyl-(4H)1,2,4-triazole-3,4-diamine
SpectraBase Compound ID FSaquWvjDxE
InChI InChI=1S/C13H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-16-17-13(14)18(12)15/h2-11,15H2,1H3,(H2,14,17)
InChIKey UEEFBBABCBKWDA-UHFFFAOYSA-N
Mol Weight 253.39 g/mol
Molecular Formula C13H27N5
Exact Mass 253.226646 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kfi0DW8yVlQ
Name 5-Undecyl-(4H)1,2,4-triazole-3,4-diamine
Comments Computed using HOSE algorithm
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Exact Mass 253.226645889 u
Formula C13H27N5
InChI InChI=1S/C13H27N5/c1-2-3-4-5-6-7-8-9-10-11-12-16-17-13(14)18(12)15/h2-11,15H2,1H3,(H2,14,17)
InChIKey UEEFBBABCBKWDA-UHFFFAOYSA-N
Molecular Weight 253.394 g/mol
SMILES C1(=NN=C(N1N)N)CCCCCCCCCCC