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Sebacic acid, 4-phenylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-phenylphenyl undecyl ester
SpectraBase Compound ID 659alOp9fs1
InChI InChI=1S/C33H48O4/c1-2-3-4-5-6-7-10-13-19-28-36-32(34)22-17-11-8-9-12-18-23-33(35)37-31-26-24-30(25-27-31)29-20-15-14-16-21-29/h14-16,20-21,24-27H,2-13,17-19,22-23,28H2,1H3
InChIKey PFGJRGSPGNQHBK-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C33H48O4
Exact Mass 508.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7u8r7w7eo2i
Name Sebacic acid, 4-phenylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.355260022 u
Formula C33H48O4
InChI InChI=1S/C33H48O4/c1-2-3-4-5-6-7-10-13-19-28-36-32(34)22-17-11-8-9-12-18-23-33(35)37-31-26-24-30(25-27-31)29-20-15-14-16-21-29/h14-16,20-21,24-27H,2-13,17-19,22-23,28H2,1H3
InChIKey PFGJRGSPGNQHBK-UHFFFAOYSA-N
Molecular Weight 508.743 g/mol
SMILES C(CCCCCC(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CCC(OCCCCCCCCCCC)=O