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Adipic acid, pentadecyl phenyl ester

View entire compound with spectra: 1 NMR

Adipic acid, pentadecyl phenyl ester
SpectraBase Compound ID 5kkeXN8m9sf
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-30-26(28)22-17-18-23-27(29)31-25-20-15-14-16-21-25/h14-16,20-21H,2-13,17-19,22-24H2,1H3
InChIKey FOSPEHRSEKOIBE-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3qcwnG9xykr
Name Adipic acid, pentadecyl phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-24-30-26(28)22-17-18-23-27(29)31-25-20-15-14-16-21-25/h14-16,20-21H,2-13,17-19,22-24H2,1H3
InChIKey FOSPEHRSEKOIBE-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(=O)(CCCCC(OCCCCCCCCCCCCCCC)=O)OC1=CC=CC=C1