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Sebacic acid, 3-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-methylphenyl undecyl ester
SpectraBase Compound ID GJ5aoaChzOP
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-11-14-17-23-31-27(29)21-15-12-9-10-13-16-22-28(30)32-26-20-18-19-25(2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey ODQBZBZHXFDMMN-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HA91Sqv0Ni2
Name Sebacic acid, 3-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-11-14-17-23-31-27(29)21-15-12-9-10-13-16-22-28(30)32-26-20-18-19-25(2)24-26/h18-20,24H,3-17,21-23H2,1-2H3
InChIKey ODQBZBZHXFDMMN-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCCC(OC1=CC(C)=CC=C1)=O)CCC(OCCCCCCCCCCC)=O