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(Cis-) and (trans-) Dimethyl 2,4-diphenylcyclopentane-1,1-dicarboxylate
SpectraBase Compound ID HOjVcezag77
InChI InChI=1S/C21H22O4/c1-24-19(22)21(20(23)25-2)14-17(15-9-5-3-6-10-15)13-18(21)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKey MRRSFSZYIAZRCI-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LQJ3eZUP1UB
Name (Cis-) and (trans-) Dimethyl 2,4-diphenylcyclopentane-1,1-dicarboxylate
Alternate Name(s) Dimethyl 2,4-diphenylcyclopentane-1,1-dicarboxylate
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-24-19(22)21(20(23)25-2)14-17(15-9-5-3-6-10-15)13-18(21)16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKey MRRSFSZYIAZRCI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201306186
Molecular Weight 338.403 g/mol
SMILES c1c(C2CC(c3ccccc3)C(C(=O)OC)(C(=O)OC)C2)cccc1
SPLASH splash10-002r-4963000000-f35b440bd08da4548dcc
Source of Spectrum ACI-53-SMS67-(cis+trans)_9
Wiley ID 1781886