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1-(4-Chlorophenyl)-2-(4-methoxyphenyl)-3,3-dimethylcyclopropane-trans-1,2-diyl diacetate
SpectraBase Compound ID 7feVQ1PTOvH
InChI InChI=1S/C22H23ClO5/c1-14(24)27-21(16-6-10-18(23)11-7-16)20(3,4)22(21,28-15(2)25)17-8-12-19(26-5)13-9-17/h6-13H,1-5H3/t21-,22-/m0/s1
InChIKey DRDWCVSVVLONBN-VXKWHMMOSA-N
Mol Weight 402.87 g/mol
Molecular Formula C22H23ClO5
Exact Mass 402.123402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KEAbI88B5N
Name 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)-3,3-dimethylcyclopropane-trans-1,2-diyl diacetate
Alternate Name(s) 1-(4-Chlorophenyl)-2-(4-methoxyphenyl)-3,3-dimethylcyclopropane-trans-1,2-diyl acetate (1S,2S)-2-(acetyloxy)-1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3,3-dimethylcyclopropyl acetate
Comments Note: The molecular formula of the structure shown is C22H23ClO5 - which differs from the formula reported for the mass spectrum (C22H23ClO4)
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Formula C22H23ClO4
InChI InChI=1S/C22H23ClO5/c1-14(24)27-21(16-6-10-18(23)11-7-16)20(3,4)22(21,28-15(2)25)17-8-12-19(26-5)13-9-17/h6-13H,1-5H3/t21-,22-/m0/s1
InChIKey DRDWCVSVVLONBN-VXKWHMMOSA-N
Molecular Weight 402.874 g/mol
SMILES [C@]1([C@@](C1(C)C)(c1ccc(cc1)OC)OC(C)=O)(c1ccc(cc1)Cl)OC(C)=O
SPLASH splash10-0007-9580000000-8879d749298906791877
Source of Spectrum JA-50-309-0
Wiley ID 1362676