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Sebacic acid, 3,3-dimethylbut-2-yl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,3-dimethylbut-2-yl pentadecyl ester
SpectraBase Compound ID 18arBvMgxMs
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28(2)31(3,4)5/h28H,6-27H2,1-5H3
InChIKey SBSBABVRHXVGHB-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsfKNE3Bh48
Name Sebacic acid, 3,3-dimethylbut-2-yl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-24-27-34-29(32)25-22-19-16-17-20-23-26-30(33)35-28(2)31(3,4)5/h28H,6-27H2,1-5H3
InChIKey SBSBABVRHXVGHB-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCCCCCCCCCC)=O