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1-[2',5'-bis(Benzyloxy)-4'-methylphenyl]-4-(N-methylamino)-3-penten-1-one
SpectraBase Compound ID Bhqw43fproJ
InChI InChI=1S/C27H29NO3/c1-20-16-27(31-19-23-12-8-5-9-13-23)24(25(29)15-14-21(2)28-3)17-26(20)30-18-22-10-6-4-7-11-22/h4-14,16-17,28H,15,18-19H2,1-3H3/b21-14+
InChIKey VGRFWMWPDNNANQ-KGENOOAVSA-N
Mol Weight 415.53 g/mol
Molecular Formula C27H29NO3
Exact Mass 415.214744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCzZBAKT9Sx
Name 1-[2',5'-bis(Benzyloxy)-4'-methylphenyl]-4-(N-methylamino)-3-penten-1-one
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Formula C27H29NO3
InChI InChI=1S/C27H29NO3/c1-20-16-27(31-19-23-12-8-5-9-13-23)24(25(29)15-14-21(2)28-3)17-26(20)30-18-22-10-6-4-7-11-22/h4-14,16-17,28H,15,18-19H2,1-3H3/b21-14+
InChIKey VGRFWMWPDNNANQ-KGENOOAVSA-N
Molecular Weight 415.533 g/mol
SMILES N(\C(=C\CC(c1c(cc(c(c1)OCc1ccccc1)C)OCc1ccccc1)=O)C)C
SPLASH splash10-0005-9000000000-542a641e90a2b29a2904
Source of Spectrum D8-327-150-5
Synonyms (3E)-1-[2,5-bis(benzyloxy)-4-methylphenyl]-4-(methylamino)-3-penten-1-one
Wiley ID 1515168