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[[(2E)-3,7-dimethylocta-2,6-dienoxy]-diphenyl-methyl]benzene
SpectraBase Compound ID DFVgm0Xb4qS
InChI InChI=1S/C29H32O/c1-24(2)14-13-15-25(3)22-23-30-29(26-16-7-4-8-17-26,27-18-9-5-10-19-27)28-20-11-6-12-21-28/h4-12,14,16-22H,13,15,23H2,1-3H3/b25-22+
InChIKey CAKIRMJFMQSWHE-YYDJUVGSSA-N
Mol Weight 396.6 g/mol
Molecular Formula C29H32O
Exact Mass 396.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5OdOwtNEP8
Name [[(2E)-3,7-Dimethylocta-2,6-dienoxy]-diphenyl-methyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 396.245315649 u
Formula C29H32O
InChI InChI=1S/C29H32O/c1-24(2)14-13-15-25(3)22-23-30-29(26-16-7-4-8-17-26,27-18-9-5-10-19-27)28-20-11-6-12-21-28/h4-12,14,16-22H,13,15,23H2,1-3H3/b25-22+
InChIKey CAKIRMJFMQSWHE-YYDJUVGSSA-N
Molecular Weight 396.574 g/mol
SMILES C(OC\C=C/(C)CCC=C(C)C)(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1