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3-(2',3',4'-trimethoxyphenyl)cyclohex-2-en-1-one
SpectraBase Compound ID FXgCak1KutD
InChI InChI=1S/C15H18O4/c1-17-13-8-7-12(14(18-2)15(13)19-3)10-5-4-6-11(16)9-10/h7-9H,4-6H2,1-3H3
InChIKey XUXRCFMZAQBZCL-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvjCJPatEje
Name 3-(2',3',4'-trimethoxyphenyl)cyclohex-2-en-1-one
Alternate Name(s) 3-(2,3,4-trimethoxyphenyl)-2-cyclohexen-1-one
CAS Registry Number 116211-56-4
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-17-13-8-7-12(14(18-2)15(13)19-3)10-5-4-6-11(16)9-10/h7-9H,4-6H2,1-3H3
InChIKey XUXRCFMZAQBZCL-UHFFFAOYSA-N
Molecular Weight 262.305 g/mol
SMILES c1(c(C2=CC(=O)CCC2)ccc(c1OC)OC)OC
SPLASH splash10-08fr-0790000000-34f4bd1d2f88bdf40997
Source of Spectrum J-53-4948-10
Wiley ID 1265876