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Diethyl 1-(4-chlorophenyl)-3,3-dimethyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
SpectraBase Compound ID vtr74QoFs4
InChI InChI=1S/C22H25ClO5/c1-5-26-19(24)22(20(25)27-6-2)12-15-11-21(3,4)28-18(17(15)13-22)14-7-9-16(23)10-8-14/h7-11H,5-6,12-13H2,1-4H3
InChIKey UFWDLLOIYVIMRW-UHFFFAOYSA-N
Mol Weight 404.89 g/mol
Molecular Formula C22H25ClO5
Exact Mass 404.139052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mev2BVYBM
Name Diethyl 1-(4-chlorophenyl)-3,3-dimethyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
Appearance Pale yellow oil
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Formula C22H25ClO5
InChI InChI=1S/C22H25ClO5/c1-5-26-19(24)22(20(25)27-6-2)12-15-11-21(3,4)28-18(17(15)13-22)14-7-9-16(23)10-8-14/h7-11H,5-6,12-13H2,1-4H3
InChIKey UFWDLLOIYVIMRW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 404.890 g/mol
Quality 73
Reported Formula C22H25O5Cl
SMILES C(C)OC(=O)C1(CC=2C(=C(OC(C2)(C)C)C2=CC=C(C=C2)Cl)C1)C(=O)OCC
SPLASH splash10-0f89-0219800000-bf357a013e99c3bbb788
Source of Spectrum QE-21-SM11-5e (DOI: 10.1002/chem.201503293)
Wiley ID 1907275