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3-Phenyl-9,10-dihydro-8H-cycloocta[c]pyran-5,6-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 38OwWZ2lMGj
InChI InChI=1S/C21H20O5/c1-24-20(22)16-11-7-6-10-15-13-26-18(14-8-4-3-5-9-14)12-17(15)19(16)21(23)25-2/h3-5,8-9,11-13H,6-7,10H2,1-2H3/b16-11+,19-17+
InChIKey NKELBJKDZONFCK-CHPUTOFQSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GM0VdvbY2GT
Name 3-Phenyl-9,10-dihydro-8H-cycloocta[c]pyran-5,6-dicarboxylic acid dimethyl ester
Alternate Name(s) dimethyl 3-phenyl-9,10-dihydro-8H-cycloocta[c]pyran-5,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-24-20(22)16-11-7-6-10-15-13-26-18(14-8-4-3-5-9-14)12-17(15)19(16)21(23)25-2/h3-5,8-9,11-13H,6-7,10H2,1-2H3/b16-11+,19-17+
InChIKey NKELBJKDZONFCK-CHPUTOFQSA-N
Molecular Weight 352.386 g/mol
SMILES C1=C2\C(C=C(O1)c1ccccc1)=C/(\C(=C/CCC2)C(=O)OC)C(=O)OC
SPLASH splash10-0006-0093000000-4786d7c53d026e601f7f
Source of Spectrum CV-2004-1411-3
Wiley ID 1611491