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Propane, 2,2-bis[4-(2-bromo-3-methylbutanoyloxy)phenyl]-

View entire compound with spectra: 1 NMR

Propane, 2,2-bis[4-(2-bromo-3-methylbutanoyloxy)phenyl]-
SpectraBase Compound ID DOB4TuHBxLS
InChI InChI=1S/C25H30Br2O4/c1-15(2)21(26)23(28)30-19-11-7-17(8-12-19)25(5,6)18-9-13-20(14-10-18)31-24(29)22(27)16(3)4/h7-16,21-22H,1-6H3
InChIKey JHQYJMAHROAZLD-UHFFFAOYSA-N
Mol Weight 554.32 g/mol
Molecular Formula C25H30Br2O4
Exact Mass 552.051085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmgYSnB5J3D
Name Propane, 2,2-bis[4-(2-bromo-3-methylbutanoyloxy)phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 552.051085442 u
Formula C25H30Br2O4
InChI InChI=1S/C25H30Br2O4/c1-15(2)21(26)23(28)30-19-11-7-17(8-12-19)25(5,6)18-9-13-20(14-10-18)31-24(29)22(27)16(3)4/h7-16,21-22H,1-6H3
InChIKey JHQYJMAHROAZLD-UHFFFAOYSA-N
Molecular Weight 554.319 g/mol
SMILES C(OC=1C=CC(C(C=2C=CC(OC(C(Br)C(C)C)=O)=CC2)(C)C)=CC1)(C(Br)C(C)C)=O