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Pentanedioic acid, di(2,4-di-t-butylphenyl) ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

Pentanedioic acid, di(2,4-di-t-butylphenyl) ester
SpectraBase Compound ID 7c8NvCVC0L0
InChI InChI=1S/C33H48O4/c1-30(2,3)22-16-18-26(24(20-22)32(7,8)9)36-28(34)14-13-15-29(35)37-27-19-17-23(31(4,5)6)21-25(27)33(10,11)12/h16-21H,13-15H2,1-12H3
InChIKey YJSUUGWVFOSHHL-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C33H48O4
Exact Mass 508.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJXlXAzt1QH
Name Pentanedioic acid, di(2,4-di-T-butylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 508.355260022 u
Formula C33H48O4
InChI InChI=1S/C33H48O4/c1-30(2,3)22-16-18-26(24(20-22)32(7,8)9)36-28(34)14-13-15-29(35)37-27-19-17-23(31(4,5)6)21-25(27)33(10,11)12/h16-21H,13-15H2,1-12H3
InChIKey YJSUUGWVFOSHHL-UHFFFAOYSA-N
Molecular Weight 508.743 g/mol
SMILES CC(C)(C)C1=C(OC(CCCC(OC=2C(C(C)(C)C)=CC(C(C)(C)C)=CC2)=O)=O)C=CC(=C1)C(C)(C)C