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Pimelic acid, dodecyl phenethyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, dodecyl phenethyl ester
SpectraBase Compound ID JUqLrtrovw5
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-17-23-30-26(28)20-15-12-16-21-27(29)31-24-22-25-18-13-11-14-19-25/h11,13-14,18-19H,2-10,12,15-17,20-24H2,1H3
InChIKey WBNTZOXHQFEKOD-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 HqokGzESNeX
Name Pimelic acid, dodecyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-2-3-4-5-6-7-8-9-10-17-23-30-26(28)20-15-12-16-21-27(29)31-24-22-25-18-13-11-14-19-25/h11,13-14,18-19H,2-10,12,15-17,20-24H2,1H3
InChIKey WBNTZOXHQFEKOD-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES C(OCCC1=CC=CC=C1)(=O)CCCCCC(OCCCCCCCCCCCC)=O