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4-(4-Methoxyphenyl)-3-(3-methylene-6-oxoheptyl)cyclohex-3-enone
SpectraBase Compound ID IhCPVG4quzq
InChI InChI=1S/C21H26O3/c1-15(4-6-16(2)22)5-7-18-14-19(23)10-13-21(18)17-8-11-20(24-3)12-9-17/h8-9,11-12H,1,4-7,10,13-14H2,2-3H3
InChIKey LARSDRHOGOZSGC-UHFFFAOYSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n9H9b43k0
Name 4-(4-Methoxyphenyl)-3-(3-methylene-6-oxoheptyl)cyclohex-3-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-15(4-6-16(2)22)5-7-18-14-19(23)10-13-21(18)17-8-11-20(24-3)12-9-17/h8-9,11-12H,1,4-7,10,13-14H2,2-3H3
InChIKey LARSDRHOGOZSGC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 326.436 g/mol
SMILES C1(=O)CCC(c2ccc(cc2)OC)=C(C1)CCC(=C)CCC(C)=O
SPLASH splash10-016r-1896000000-39c681507f083a271e07
Source of Spectrum J-77-8383-9e
Synonyms 4'-methoxy-2-(3-methylene-6-oxoheptyl)-5,6-dihydro-[1,1'-biphenyl]-4(3H)-one 4-(4-Methoxyphenyl)-3-(3-methylene-6-oxoheptyl)-1-cyclohex-3-enone 4-(4-Methoxyphenyl)-3-(3-methylidene-6-oxoheptyl)cyclohex-3-en-1-one 4-(4-Methoxyphenyl)-3-(3-methylene-6-oxo-heptyl)cyclohex-3-en-1-one 4-(4-Methoxyphenyl)-3-(3-methylidene-6-oxidanylidene-heptyl)cyclohex-3-en-1-one
Wiley ID 1745221