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Glutaric acid, 2-isopropylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-isopropylphenyl undecyl ester
SpectraBase Compound ID 8FnhkHGVfBp
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)29-23-17-13-12-16-22(23)21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3
InChIKey YNBIPYRGRLCVLE-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JB1kU91LOX
Name Glutaric acid, 2-isopropylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.292659764 u
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)29-23-17-13-12-16-22(23)21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3
InChIKey YNBIPYRGRLCVLE-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1C(C)C)=O)=O