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5-keto-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester
SpectraBase Compound ID EwwsJPdThB8
InChI InChI=1S/C20H22O5/c1-3-24-18(22)20(19(23)25-4-2)11-14-10-16(21)17(15(14)12-20)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey RGGFNIPHJDEXKG-UHFFFAOYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Kh4YU5Nvvr
Name 5-keto-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-3-24-18(22)20(19(23)25-4-2)11-14-10-16(21)17(15(14)12-20)13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3
InChIKey RGGFNIPHJDEXKG-UHFFFAOYSA-N
Molecular Weight 342.391 g/mol
SMILES C1(CC2=C(c3ccccc3)C(CC2C1)=O)(C(=O)OCC)C(=O)OCC
SPLASH splash10-014i-0093000000-c01133c852c1b625bdbf
Source of Spectrum J-63-9291-3
Synonyms 5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylic acid diethyl ester diethyl 5-oxidanylidene-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate diethyl 5-oxo-6-phenyl-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
Wiley ID 1336681