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(+)-4-Benzoyl-8,8-diethoxycarbonyl-3-oxabicyclo[4.3.0]non-1(6)-ene
SpectraBase Compound ID Is3daiqDcQL
InChI InChI=1S/C21H24O6/c1-3-25-19(23)21(20(24)26-4-2)11-15-10-17(27-13-16(15)12-21)18(22)14-8-6-5-7-9-14/h5-9,17H,3-4,10-13H2,1-2H3
InChIKey DRRPYQPWQOTKBR-UHFFFAOYSA-N
Mol Weight 372.42 g/mol
Molecular Formula C21H24O6
Exact Mass 372.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmsO0gsCYO0
Name (+)-4-Benzoyl-8,8-diethoxycarbonyl-3-oxabicyclo[4.3.0]non-1(6)-ene
Alternate Name(s) diethyl 3-benzoyl-3,4,5,7-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate diethyl 3-benzoyl-3,4,5,7-tetrahydro-1H-cyclopenta[c]pyran-6,6-dicarboxylate diethyl 3-(phenylcarbonyl)-3,4,5,7-tetrahydro-1H-cyclopenta[c]pyran-6,6-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H24O6
InChI InChI=1S/C21H24O6/c1-3-25-19(23)21(20(24)26-4-2)11-15-10-17(27-13-16(15)12-21)18(22)14-8-6-5-7-9-14/h5-9,17H,3-4,10-13H2,1-2H3
InChIKey DRRPYQPWQOTKBR-UHFFFAOYSA-N
Molecular Weight 372.417 g/mol
SMILES C1=2COC(CC2CC(C1)(C(=O)OCC)C(=O)OCC)C(c1ccccc1)=O
SPLASH splash10-0a4i-0900000000-b1365ae3a2c5bbcd22d6
Source of Spectrum J-64-8665-3
Wiley ID 1531627