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3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-(1-oxopentyl)-1-cyclohex-2-enone
SpectraBase Compound ID Jkj0dEgwYF8
InChI InChI=1S/C25H37NO4/c1-6-9-10-20(27)24-19(16-25(4,5)17-21(24)28)26-14-13-18-11-12-22(29-7-2)23(15-18)30-8-3/h11-12,15,26H,6-10,13-14,16-17H2,1-5H3
InChIKey ADUMWIHFAYEPAZ-UHFFFAOYSA-N
Mol Weight 415.6 g/mol
Molecular Formula C25H37NO4
Exact Mass 415.272259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYfdFgnxyP2
Name 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-(1-oxopentyl)-1-cyclohex-2-enone
Alternate Name(s) 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-pentanoyl-cyclohex-2-en-1-one 3-[2-(3,4-diethoxyphenyl)ethylamino]-5,5-dimethyl-2-valeryl-cyclohex-2-en-1-one
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Formula C25H37NO4
InChI InChI=1S/C25H37NO4/c1-6-9-10-20(27)24-19(16-25(4,5)17-21(24)28)26-14-13-18-11-12-22(29-7-2)23(15-18)30-8-3/h11-12,15,26H,6-10,13-14,16-17H2,1-5H3
InChIKey ADUMWIHFAYEPAZ-UHFFFAOYSA-N
Molecular Weight 415.574 g/mol
SMILES N(C1=C(C(CC(C)(C)C1)=O)C(=O)CCCC)CCc1cc(OCC)c(cc1)OCC
SPLASH splash10-0076-6951000000-0f7d9ed0af978f4dbb05
Wiley ID 1445231