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Acetic acid, 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]-
SpectraBase Compound ID 4elUc96LwFK
InChI InChI=1S/C22H29NO6/c1-5-28-18-8-7-14(10-19(18)29-6-2)9-16(24)21-15(23-13-20(26)27)11-22(3,4)12-17(21)25/h7-8,10,23H,5-6,9,11-13H2,1-4H3,(H,26,27)
InChIKey HMTUQCFRPQUTND-UHFFFAOYSA-N
Mol Weight 403.48 g/mol
Molecular Formula C22H29NO6
Exact Mass 403.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAktDVBIGXd
Name Acetic acid, 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]-
Alternate Name(s) 2-[[2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]acetic acid 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxocyclohexen-1-yl]amino]acetic acid 2-[[2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-oxo-cyclohexen-1-yl]amino]acetic acid 2-[[2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl]amino]ethanoic acid
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Formula C22H29NO6
InChI InChI=1S/C22H29NO6/c1-5-28-18-8-7-14(10-19(18)29-6-2)9-16(24)21-15(23-13-20(26)27)11-22(3,4)12-17(21)25/h7-8,10,23H,5-6,9,11-13H2,1-4H3,(H,26,27)
InChIKey HMTUQCFRPQUTND-UHFFFAOYSA-N
Molecular Weight 403.475 g/mol
SMILES N(C1=C(C(CC(C1)(C)C)=O)C(Cc1cc(OCC)c(cc1)OCC)=O)CC(=O)O
SPLASH splash10-00di-9670000000-aa9da6613c01deb023f6
Source of Spectrum IY-1-4596-0
Wiley ID 1653943