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Glutaric acid, 2-isopropoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-isopropoxyphenyl undecyl ester
SpectraBase Compound ID CTMN4FegRbF
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)30-23-17-13-12-16-22(23)29-21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3
InChIKey TVZBZWSMACPRDT-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2qyg0qchjA
Name Glutaric acid, 2-isopropoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.287574383 u
Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-4-5-6-7-8-9-10-11-14-20-28-24(26)18-15-19-25(27)30-23-17-13-12-16-22(23)29-21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3
InChIKey TVZBZWSMACPRDT-UHFFFAOYSA-N
Molecular Weight 420.590 g/mol
SMILES CCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O