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3,7-Nonanedione, 4-methyl-1-oxiranyl-4-[4-(phenylmethoxy)phenyl]-
SpectraBase Compound ID 3PKhSKJTE9T
InChI InChI=1S/C25H30O4/c1-3-21(26)15-16-25(2,24(27)14-13-23-18-29-23)20-9-11-22(12-10-20)28-17-19-7-5-4-6-8-19/h4-12,23H,3,13-18H2,1-2H3
InChIKey DZIQDNHDCLIQFX-UHFFFAOYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWipvNwoYJw
Name 3,7-Nonanedione, 4-methyl-1-oxiranyl-4-[4-(phenylmethoxy)phenyl]-
Alternate Name(s) 4-[4-(benzyloxy)phenyl]-4-methyl-1-(2-oxiranyl)-3,7-nonanedione 6-(4-Benzyloxyphenyl)-10,11-epoxy-6-methylundecane-3,7-dione
CAS Registry Number 109492-86-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-3-21(26)15-16-25(2,24(27)14-13-23-18-29-23)20-9-11-22(12-10-20)28-17-19-7-5-4-6-8-19/h4-12,23H,3,13-18H2,1-2H3
InChIKey DZIQDNHDCLIQFX-UHFFFAOYSA-N
Molecular Weight 394.511 g/mol
SMILES C1(OC1)CCC(C(CCC(=O)CC)(c1ccc(OCc2ccccc2)cc1)C)=O
SPLASH splash10-0095-1091000000-85990cdba18cac8e130b
Source of Spectrum KC-1986-1518-13
Wiley ID 1366805