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Sebacic acid, di(3-propylphenyl) ester

View entire compound with spectra: 1 NMR

Sebacic acid, di(3-propylphenyl) ester
SpectraBase Compound ID LEyxI00VLQ
InChI InChI=1S/C28H38O4/c1-3-15-23-17-11-13-19-25(23)31-27(29)21-9-7-5-6-8-10-22-28(30)32-26-20-14-12-18-24(26)16-4-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3
InChIKey RTERWMYMWSZOGM-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPM2Sb1YP0F
Name Sebacic acid, di(3-propylphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 438.277009700 u
Formula C28H38O4
InChI InChI=1S/C28H38O4/c1-3-15-23-17-11-13-19-25(23)31-27(29)21-9-7-5-6-8-10-22-28(30)32-26-20-14-12-18-24(26)16-4-2/h11-14,17-20H,3-10,15-16,21-22H2,1-2H3
InChIKey RTERWMYMWSZOGM-UHFFFAOYSA-N
Molecular Weight 438.608 g/mol
SMILES C(CCCCCCCCC(OC=1C(CCC)=CC=CC1)=O)(OC=1C(CCC)=CC=CC1)=O