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2-(1-benzoylbutyl)-4,5-diisopropoxy-cyclopent-4-ene-1,3-dione
SpectraBase Compound ID GpZrTbslJvE
InChI InChI=1S/C22H28O5/c1-6-10-16(18(23)15-11-8-7-9-12-15)17-19(24)21(26-13(2)3)22(20(17)25)27-14(4)5/h7-9,11-14,16-17H,6,10H2,1-5H3
InChIKey OXNTUHAKHACNGZ-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkfGXBmjGPv
Name 2-(1-benzoylbutyl)-4,5-diisopropoxy-cyclopent-4-ene-1,3-dione
Alternate Name(s) 2-(1-benzoylbutyl)-4,5-diisopropoxy-cyclopent-4-ene-1,3-quinone 2-(1-oxidanylidene-1-phenyl-pentan-2-yl)-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione 2-(1-oxo-1-phenylpentan-2-yl)-4,5-di(propan-2-yloxy)cyclopent-4-ene-1,3-dione
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Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-6-10-16(18(23)15-11-8-7-9-12-15)17-19(24)21(26-13(2)3)22(20(17)25)27-14(4)5/h7-9,11-14,16-17H,6,10H2,1-5H3
InChIKey OXNTUHAKHACNGZ-UHFFFAOYSA-N
Molecular Weight 372.461 g/mol
SMILES C1(C(=C(C(C1C(CCC)C(c1ccccc1)=O)=O)OC(C)C)OC(C)C)=O
SPLASH splash10-001i-0956000000-638d2332b4801169ea8d
Source of Spectrum KC-57-5105-8
Wiley ID 1624558