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rac-1,1'-Bis[2,2-dimethylcyclopropane-1,3-di(benzoate)]
SpectraBase Compound ID JGamMLanaEc
InChI InChI=1S/C38H34O8/c1-35(2)29(31(39)43-25-17-9-5-10-18-25)37(35,33(41)45-27-21-13-7-14-22-27)38(34(42)46-28-23-15-8-16-24-28)30(36(38,3)4)32(40)44-26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-,37-,38-/m1/s1
InChIKey SQPAJSGJYYTWDE-JUTABEQOSA-N
Mol Weight 618.7 g/mol
Molecular Formula C38H34O8
Exact Mass 618.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3d0PCbTzo0W
Name rac-1,1'-Bis[2,2-dimethylcyclopropane-1,3-di(benzoate)]
Comments Less than 3 mono-isotopic peaks
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Formula C38H34O8
InChI InChI=1S/C38H34O8/c1-35(2)29(31(39)43-25-17-9-5-10-18-25)37(35,33(41)45-27-21-13-7-14-22-27)38(34(42)46-28-23-15-8-16-24-28)30(36(38,3)4)32(40)44-26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-,37-,38-/m1/s1
InChIKey SQPAJSGJYYTWDE-JUTABEQOSA-N
Molecular Weight 618.682 g/mol
SMILES [C@@]1([C@]2([C@@](C(Oc3ccccc3)=O)([H])C2(C)C)C(Oc2ccccc2)=O)([C@@](C(Oc2ccccc2)=O)([H])C1(C)C)C(Oc1ccccc1)=O
SPLASH splash10-004i-0000090000-8fa74060925dc0734464
Source of Spectrum QE-5-2842-3
Wiley ID 844452