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Sebacic acid, di(2-isopropylphenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(2-isopropylphenyl) ester
SpectraBase Compound ID 9NuzkdChfbA
InChI InChI=1S/C28H38O4/c1-21(2)23-15-11-13-17-25(23)31-27(29)19-9-7-5-6-8-10-20-28(30)32-26-18-14-12-16-24(26)22(3)4/h11-18,21-22H,5-10,19-20H2,1-4H3
InChIKey WENIXBHBMWHHJJ-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 35aIuqhghME
Name Sebacic acid, di(2-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)23-15-11-13-17-25(23)31-27(29)19-9-7-5-6-8-10-20-28(30)32-26-18-14-12-16-24(26)22(3)4/h11-18,21-22H,5-10,19-20H2,1-4H3
InChIKey WENIXBHBMWHHJJ-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OC=1C(C(C)C)=CC=CC1)=O