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Sebacic acid, decyl 2,3-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, decyl 2,3-dimethylphenyl ester
SpectraBase Compound ID F1YZuW7m017
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-11-14-17-23-31-27(29)21-15-12-9-10-13-16-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey DRMPYLXJIVMQOY-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 2VZ9dZy3zBT
Name Sebacic acid, decyl 2,3-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-4-5-6-7-8-11-14-17-23-31-27(29)21-15-12-9-10-13-16-22-28(30)32-26-20-18-19-24(2)25(26)3/h18-20H,4-17,21-23H2,1-3H3
InChIKey DRMPYLXJIVMQOY-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCC(OC1=C(C(C)=CC=C1)C)=O)CCCC(OCCCCCCCCCC)=O