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1-[2',5'-bis(Benzyloxy)-4'-methylphenyl]-5-(N-methylamino)-4-hexen-3-one
SpectraBase Compound ID KhHdvnjOHeP
InChI InChI=1S/C28H31NO3/c1-21-16-28(32-20-24-12-8-5-9-13-24)25(14-15-26(30)17-22(2)29-3)18-27(21)31-19-23-10-6-4-7-11-23/h4-13,16-18,29H,14-15,19-20H2,1-3H3/b22-17+
InChIKey KNSGABLBYAHOHL-OQKWZONESA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GBcZVt9LXOo
Name 1-[2',5'-bis(Benzyloxy)-4'-methylphenyl]-5-(N-methylamino)-4-hexen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31NO3
InChI InChI=1S/C28H31NO3/c1-21-16-28(32-20-24-12-8-5-9-13-24)25(14-15-26(30)17-22(2)29-3)18-27(21)31-19-23-10-6-4-7-11-23/h4-13,16-18,29H,14-15,19-20H2,1-3H3/b22-17+
InChIKey KNSGABLBYAHOHL-OQKWZONESA-N
Molecular Weight 429.560 g/mol
SMILES N(\C(=C\C(=O)CCc1c(cc(c(c1)OCc1ccccc1)C)OCc1ccccc1)C)C
SPLASH splash10-0006-9000000000-fe4388415f5ce15646d1
Source of Spectrum D8-327-151-6
Synonyms (4E)-1-[2,5-bis(benzyloxy)-4-methylphenyl]-5-(methylamino)-4-hexen-3-one
Wiley ID 1515164