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Sebacic acid, dodecyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl 3-methylphenyl ester
SpectraBase Compound ID 79HkunaKRDN
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-12-15-18-24-32-28(30)22-16-13-10-11-14-17-23-29(31)33-27-21-19-20-26(2)25-27/h19-21,25H,3-18,22-24H2,1-2H3
InChIKey SMEWHOMTFCHLDZ-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kn7ej2Gw0D4
Name Sebacic acid, dodecyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-12-15-18-24-32-28(30)22-16-13-10-11-14-17-23-29(31)33-27-21-19-20-26(2)25-27/h19-21,25H,3-18,22-24H2,1-2H3
InChIKey SMEWHOMTFCHLDZ-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OCCCCCCCCCCCC)=O