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N-[(2E)-5,5-diphenylpenta-2,4-dienyl]carbamic acid tert-butyl ester
SpectraBase Compound ID CnnT64CAICy
InChI InChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-17-11-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3,(H,23,24)/b11-10+
InChIKey CIMCYGYTFSBEIG-ZHACJKMWSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVXDx0jVdF
Name N-[(2E)-5,5-Diphenylpenta-2,4-dienyl]carbamic acid tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.188529047 u
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-22(2,3)25-21(24)23-17-11-10-16-20(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16H,17H2,1-3H3,(H,23,24)/b11-10+
InChIKey CIMCYGYTFSBEIG-ZHACJKMWSA-N
Molecular Weight 335.447 g/mol
SMILES C(=C\C=C\CNC(OC(C)(C)C)=O)(C=1C=CC=CC1)C=1C=CC=CC1