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3-Phenyl-8,9-dihydro-cyclohepta[c]pyran-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 3ZdWo4Q8B51
InChI InChI=1S/C20H18O5/c1-23-19(21)15-10-6-9-14-12-25-17(13-7-4-3-5-8-13)11-16(14)18(15)20(22)24-2/h3-5,7-8,10-12H,6,9H2,1-2H3
InChIKey NKSCFHHTBCTXRA-UHFFFAOYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b5QCWNfC7l
Name 3-Phenyl-8,9-dihydro-cyclohepta[c]pyran-5,6-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-23-19(21)15-10-6-9-14-12-25-17(13-7-4-3-5-8-13)11-16(14)18(15)20(22)24-2/h3-5,7-8,10-12H,6,9H2,1-2H3
InChIKey NKSCFHHTBCTXRA-UHFFFAOYSA-N
Molecular Weight 338.359 g/mol
SMILES C1=C2C(C=C(O1)c1ccccc1)=C(C(=CCC2)C(=O)OC)C(=O)OC
SPLASH splash10-004r-0096000000-ca3ce5d301c5b63fd736
Source of Spectrum CV-2004-1411-3
Synonyms dimethyl 3-phenyl-8,9-dihydrocyclohepta[c]pyran-5,6-dicarboxylate
Wiley ID 1611490