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Diethyl 1-(3-hydroxyphenyl)-3,3-dimethyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
SpectraBase Compound ID ExkCGs0TRdQ
InChI InChI=1S/C22H26O6/c1-5-26-19(24)22(20(25)27-6-2)12-15-11-21(3,4)28-18(17(15)13-22)14-8-7-9-16(23)10-14/h7-11,23H,5-6,12-13H2,1-4H3
InChIKey LCLAMUNWNFJCQJ-UHFFFAOYSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48NKddOa4e
Name Diethyl 1-(3-hydroxyphenyl)-3,3-dimethyl-3,5-dihydrocyclopenta[c]pyran-6,6(7H)-dicarboxylate
Appearance Pale yellow oil
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Exact Mass 386.172938551 u
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-5-26-19(24)22(20(25)27-6-2)12-15-11-21(3,4)28-18(17(15)13-22)14-8-7-9-16(23)10-14/h7-11,23H,5-6,12-13H2,1-4H3
InChIKey LCLAMUNWNFJCQJ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ or 7000 Thermo Deca XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503293
Molecular Weight 386.444 g/mol
Quality 89
Reported Formula C22H26O6
SMILES OC=1C=C(C2=C3C(CC(C(OCC)=O)(C3)C(=O)OCC)=CC(O2)(C)C)C=CC1
SPLASH splash10-022i-0519000000-56a6c0be56469116b1cd
Source of Spectrum QE-21-SM12-5g (DOI: 10.1002/chem.201503293)
Wiley ID 1907277