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Glutaric acid, 2-isopropoxyphenyl tetradecyl ester
SpectraBase Compound ID KlhvINagYb1
InChI InChI=1S/C28H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-31-27(29)21-18-22-28(30)33-26-20-16-15-19-25(26)32-24(2)3/h15-16,19-20,24H,4-14,17-18,21-23H2,1-3H3
InChIKey LAJXSYBMXDGQAX-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1SeEwjM3Nk
Name Glutaric acid, 2-isopropoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-31-27(29)21-18-22-28(30)33-26-20-16-15-19-25(26)32-24(2)3/h15-16,19-20,24H,4-14,17-18,21-23H2,1-3H3
InChIKey LAJXSYBMXDGQAX-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C(CCCCCCCCCCCCOC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O)C