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

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4-(2-(4-((1-(Tert-butyl)-1H-tetrazol-5-yl)(phenyl)methyl)piperazin-1-yl)ethyl)morpholine
SpectraBase Compound ID Gtm04w2Xez0
InChI InChI=1S/C22H35N7O/c1-22(2,3)29-21(23-24-25-29)20(19-7-5-4-6-8-19)28-13-11-26(12-14-28)9-10-27-15-17-30-18-16-27/h4-8,20H,9-18H2,1-3H3
InChIKey KXQZWWLPCQGZQC-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 BOtL8ffNKew
Name 4-(2-(4-((1-(Tert-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/c1-22(2,3)29-21(23-24-25-29)20(19-7-5-4-6-8-19)28-13-11-26(12-14-28)9-10-27-15-17-30-18-16-27/h4-8,20H,9-18H2,1-3H3
InChIKey KXQZWWLPCQGZQC-UHFFFAOYSA-N
Molecular Weight 413.570 g/mol
SMILES C1N(CCOC1)CCN1CCN(CC1)C(C1=CC=CC=C1)C=1N(N=NN1)C(C)(C)C