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N-{3-[2-oxo-2-(1-piperidinyl)ethoxy]benzyl}-4H-1,2,4-triazol-4-amine
SpectraBase Compound ID GDYwMSxspTs
InChI InChI=1S/C16H21N5O2/c22-16(20-7-2-1-3-8-20)11-23-15-6-4-5-14(9-15)10-19-21-12-17-18-13-21/h4-6,9,12-13,19H,1-3,7-8,10-11H2
InChIKey HYDIOTCFKLIWKX-UHFFFAOYSA-N
Mol Weight 315.38 g/mol
Molecular Formula C16H21N5O2
Exact Mass 315.169525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVkGpAEZQsb
Name N-{3-[2-oxo-2-(1-Piperidinyl)ethoxy]benzyl}-4H-1,2,4-triazol-4-amine
Comments Computed using HOSE algorithm
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Exact Mass 315.169524934 u
Formula C16H21N5O2
InChI InChI=1S/C16H21N5O2/c22-16(20-7-2-1-3-8-20)11-23-15-6-4-5-14(9-15)10-19-21-12-17-18-13-21/h4-6,9,12-13,19H,1-3,7-8,10-11H2
InChIKey HYDIOTCFKLIWKX-UHFFFAOYSA-N
Molecular Weight 315.377 g/mol
SMILES N(N1C=NN=C1)CC=1C=C(OCC(N2CCCCC2)=O)C=CC1