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3-(4-Methoxyphenyl)-4-(3-methylene-6-oxohepty)cyclohex-3-enone
SpectraBase Compound ID 18nyfiSGktx
InChI InChI=1S/C21H26O3/c1-15(4-6-16(2)22)5-7-17-8-11-19(23)14-21(17)18-9-12-20(24-3)13-10-18/h9-10,12-13H,1,4-8,11,14H2,2-3H3
InChIKey PMPIZQZDKLDAQJ-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 1nWDBSYJazH
Name 3-(4-Methoxyphenyl)-4-(3-methylene-6-oxohepty)cyclohex-3-enone
Alternate Name(s) 4'-methoxy-6-(3-methylene-6-oxoheptyl)-4,5-dihydro-[1,1'-biphenyl]-3(2H)-one 3-(4-Methoxyphenyl)-4-(3-methylene-6-oxoheptyl)-1-cyclohex-3-enone 3-(4-Methoxyphenyl)-4-(3-methylidene-6-oxoheptyl)cyclohex-3-en-1-one 3-(4-Methoxyphenyl)-4-(3-methylene-6-oxo-heptyl)cyclohex-3-en-1-one 3-(4-Methoxyphenyl)-4-(3-methylidene-6-oxidanylidene-heptyl)cyclohex-3-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-15(4-6-16(2)22)5-7-17-8-11-19(23)14-21(17)18-9-12-20(24-3)13-10-18/h9-10,12-13H,1,4-8,11,14H2,2-3H3
InChIKey PMPIZQZDKLDAQJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo301028b
Molecular Weight 326.436 g/mol
SMILES C1C(CC(c2ccc(cc2)OC)=C(C1)CCC(CCC(C)=O)=C)=O
SPLASH splash10-014i-0491000000-ed930de27bb34a762139
Source of Spectrum J-77-8383-11e
Wiley ID 1745190