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Glutaric acid, phenethyl tridecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, phenethyl tridecyl ester
SpectraBase Compound ID 1d0ShceCeqP
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)19-16-20-26(28)30-23-21-24-17-13-12-14-18-24/h12-14,17-18H,2-11,15-16,19-23H2,1H3
InChIKey LQNCMCBRPCCSRL-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BOY9oud9fjz
Name Glutaric acid, phenethyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)19-16-20-26(28)30-23-21-24-17-13-12-14-18-24/h12-14,17-18H,2-11,15-16,19-23H2,1H3
InChIKey LQNCMCBRPCCSRL-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(OCCC1=CC=CC=C1)(=O)CCCC(OCCCCCCCCCCCCC)=O