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Sebacic acid, dodecyl phenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, dodecyl phenyl ester
SpectraBase Compound ID Kj6XarqbmeU
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-11-14-20-25-31-27(29)23-18-12-9-10-13-19-24-28(30)32-26-21-16-15-17-22-26/h15-17,21-22H,2-14,18-20,23-25H2,1H3
InChIKey DYBCZQZZIZDEHK-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 7THFRoEqgD3
Name Sebacic acid, dodecyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-11-14-20-25-31-27(29)23-18-12-9-10-13-19-24-28(30)32-26-21-16-15-17-22-26/h15-17,21-22H,2-14,18-20,23-25H2,1H3
InChIKey DYBCZQZZIZDEHK-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCCCCCC)=O