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2-[(E)-4-(1-ketoindan-2-yl)but-2-enyl]malonic acid dimethyl ester
SpectraBase Compound ID AbVjgjyWZIh
InChI InChI=1S/C18H20O5/c1-22-17(20)15(18(21)23-2)10-6-4-8-13-11-12-7-3-5-9-14(12)16(13)19/h3-7,9,13,15H,8,10-11H2,1-2H3/b6-4+
InChIKey SZJVEMQWSCOTOC-GQCTYLIASA-N
Mol Weight 316.35 g/mol
Molecular Formula C18H20O5
Exact Mass 316.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8qtlU8TrYA
Name 2-[(E)-4-(1-ketoindan-2-yl)but-2-enyl]malonic acid dimethyl ester
Alternate Name(s) 2-[(E)-4-(3-oxo-1,2-dihydroinden-2-yl)but-2-enyl]propanedioic acid dimethyl ester Dimethyl 2-[(E)-4-(1-oxoindan-2-yl)but-2-enyl]propanedioate Dimethyl 2-[(E)-4-(3-oxidanylidene-1,2-dihydroinden-2-yl)but-2-enyl]propanedioate Dimethyl 2-[(E)-4-(3-oxo-1,2-dihydroinden-2-yl)but-2-enyl]propanedioate
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Formula C18H20O5
InChI InChI=1S/C18H20O5/c1-22-17(20)15(18(21)23-2)10-6-4-8-13-11-12-7-3-5-9-14(12)16(13)19/h3-7,9,13,15H,8,10-11H2,1-2H3/b6-4+
InChIKey SZJVEMQWSCOTOC-GQCTYLIASA-N
Molecular Weight 316.353 g/mol
SMILES C1(c2c(cccc2)CC1C\C=C\CC(C(=O)OC)C(=O)OC)=O
SPLASH splash10-001i-0900000000-304cd3b3ecf3f36b510d
Source of Spectrum J-60-4957-4
Wiley ID 1316814