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4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trimethylacetate)

View entire compound with spectra: 1 NMR, and 1 FTIR

4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trimethylacetate)
SpectraBase Compound ID KYwjGZbHgVw
InChI InChI=1S/C28H38O4/c1-19(2)18-28(9,20-10-14-22(15-11-20)31-24(29)26(3,4)5)21-12-16-23(17-13-21)32-25(30)27(6,7)8/h10-17,19H,18H2,1-9H3
InChIKey PBDKEJXULMUDPN-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5CcmhiU8TcR
Name 4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trimethylacetate)
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-19(2)18-28(9,20-10-14-22(15-11-20)31-24(29)26(3,4)5)21-12-16-23(17-13-21)32-25(30)27(6,7)8/h10-17,19H,18H2,1-9H3
InChIKey PBDKEJXULMUDPN-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C1(OC(C(C)(C)C)=O)=CC=C(C=C1)C(CC(C)C)(C)C1=CC=C(C=C1)OC(C(C)(C)C)=O