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Sebacic acid, isobutyl 2-isopropylphenyl ester

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Sebacic acid, isobutyl 2-isopropylphenyl ester
SpectraBase Compound ID 26zl9dF6yG9
InChI InChI=1S/C23H36O4/c1-18(2)17-26-22(24)15-9-7-5-6-8-10-16-23(25)27-21-14-12-11-13-20(21)19(3)4/h11-14,18-19H,5-10,15-17H2,1-4H3
InChIKey NOKSMQVBKLZKIW-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EFgRAQtltGE
Name Sebacic acid, isobutyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-18(2)17-26-22(24)15-9-7-5-6-8-10-16-23(25)27-21-14-12-11-13-20(21)19(3)4/h11-14,18-19H,5-10,15-17H2,1-4H3
InChIKey NOKSMQVBKLZKIW-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCCCCCC(OC=1C(C(C)C)=CC=CC1)=O)C(OCC(C)C)=O