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Adipic acid, 2-phenylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-phenylphenyl undecyl ester
SpectraBase Compound ID 6Bs3mtNWHUH
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-17-24-32-28(30)22-15-16-23-29(31)33-27-21-14-13-20-26(27)25-18-11-10-12-19-25/h10-14,18-21H,2-9,15-17,22-24H2,1H3
InChIKey QMSZZACEXIHMLK-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtIcZkY0Kmo
Name Adipic acid, 2-phenylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-17-24-32-28(30)22-15-16-23-29(31)33-27-21-14-13-20-26(27)25-18-11-10-12-19-25/h10-14,18-21H,2-9,15-17,22-24H2,1H3
InChIKey QMSZZACEXIHMLK-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C1(=CC=CC=C1)C1=C(C=CC=C1)OC(=O)CCCCC(OCCCCCCCCCCC)=O