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[4-(4-Methoxy-phenyl)-piperazin-1-yl]-(1H-[1,2,4]triazol-3-yl)-methanone

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

[4-(4-Methoxy-phenyl)-piperazin-1-yl]-(1H-[1,2,4]triazol-3-yl)-methanone
SpectraBase Compound ID 2qZJ0VF1DQX
InChI InChI=1S/C14H17N5O2/c1-21-12-4-2-11(3-5-12)18-6-8-19(9-7-18)14(20)13-15-10-16-17-13/h2-5,10H,6-9H2,1H3,(H,15,16,17)
InChIKey RLBWFUDQRVLGQY-UHFFFAOYSA-N
Mol Weight 287.32 g/mol
Molecular Formula C14H17N5O2
Exact Mass 287.138225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImnN0DHQau7
Name [4-(4-Methoxy-phenyl)-piperazin-1-yl]-(1H-[1,2,4]triazol-3-yl)-methanone
Comments Computed using HOSE algorithm
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Exact Mass 287.138224805 u
Formula C14H17N5O2
InChI InChI=1S/C14H17N5O2/c1-21-12-4-2-11(3-5-12)18-6-8-19(9-7-18)14(20)13-15-10-16-17-13/h2-5,10H,6-9H2,1H3,(H,15,16,17)
InChIKey RLBWFUDQRVLGQY-UHFFFAOYSA-N
Molecular Weight 287.323 g/mol
SMILES C=1(C(N2CCN(C=3C=CC(OC)=CC3)CC2)=O)N=CNN1