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Sebacic acid, di(4-isopropylphenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(4-isopropylphenyl) ester
SpectraBase Compound ID 5JtN7x0op9n
InChI InChI=1S/C28H38O4/c1-21(2)23-13-17-25(18-14-23)31-27(29)11-9-7-5-6-8-10-12-28(30)32-26-19-15-24(16-20-26)22(3)4/h13-22H,5-12H2,1-4H3
InChIKey SASLXLYRMVYKII-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 DCd7YuQOwwT
Name Sebacic acid, di(4-isopropylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-21(2)23-13-17-25(18-14-23)31-27(29)11-9-7-5-6-8-10-12-28(30)32-26-19-15-24(16-20-26)22(3)4/h13-22H,5-12H2,1-4H3
InChIKey SASLXLYRMVYKII-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(CCCCCCCC(OC=1C=CC(C(C)C)=CC1)=O)C(OC1=CC=C(C(C)C)C=C1)=O