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4-(2-(4-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethyl)morpholine

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4-(2-(4-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethyl)morpholine
SpectraBase Compound ID LniLK7Y58G3
InChI InChI=1S/C22H35N7O/c1-2-3-9-29-22(23-24-25-29)21(20-7-5-4-6-8-20)28-14-12-26(13-15-28)10-11-27-16-18-30-19-17-27/h4-8,21H,2-3,9-19H2,1H3
InChIKey NFIANAVFUROJAD-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C22H35N7O
Exact Mass 413.290309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUFovdDuqOk
Name 4-(2-(4-((1-Butyl-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethyl)morpholine
Comments Computed using HOSE algorithm
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Exact Mass 413.290308774 u
Formula C22H35N7O
InChI InChI=1S/C22H35N7O/c1-2-3-9-29-22(23-24-25-29)21(20-7-5-4-6-8-20)28-14-12-26(13-15-28)10-11-27-16-18-30-19-17-27/h4-8,21H,2-3,9-19H2,1H3
InChIKey NFIANAVFUROJAD-UHFFFAOYSA-N
Molecular Weight 413.570 g/mol
SMILES C1N(CCOC1)CCN1CCN(CC1)C(C1=CC=CC=C1)C=1N(N=NN1)CCCC