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Sebacic acid, 3-ethylphenyl heptadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3-ethylphenyl heptadecyl ester
SpectraBase Compound ID GudzmxUkTsc
InChI InChI=1S/C35H60O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21-24-30-38-34(36)28-22-19-16-17-20-23-29-35(37)39-33-27-25-26-32(4-2)31-33/h25-27,31H,3-24,28-30H2,1-2H3
InChIKey XUMAHTLSRDBNJP-UHFFFAOYSA-N
Mol Weight 544.9 g/mol
Molecular Formula C35H60O4
Exact Mass 544.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcesrVegkDT
Name Sebacic acid, 3-ethylphenyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 544.449160408 u
Formula C35H60O4
InChI InChI=1S/C35H60O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-21-24-30-38-34(36)28-22-19-16-17-20-23-29-35(37)39-33-27-25-26-32(4-2)31-33/h25-27,31H,3-24,28-30H2,1-2H3
InChIKey XUMAHTLSRDBNJP-UHFFFAOYSA-N
Molecular Weight 544.861 g/mol
SMILES C(CCCCCC(OC1=CC(CC)=CC=C1)=O)CCC(OCCCCCCCCCCCCCCCCC)=O