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Glutaric acid, hexadecyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 3-methylphenyl ester
SpectraBase Compound ID 7Q9iNaiR1HR
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-18-22-28(30)32-26-20-17-19-25(2)24-26/h17,19-20,24H,3-16,18,21-23H2,1-2H3
InChIKey QFGAMQHMJDTAHO-UHFFFAOYSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H46O4
Exact Mass 446.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9s5oDpz5f7
Name Glutaric acid, hexadecyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 446.339609957 u
Formula C28H46O4
InChI InChI=1S/C28H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-31-27(29)21-18-22-28(30)32-26-20-17-19-25(2)24-26/h17,19-20,24H,3-16,18,21-23H2,1-2H3
InChIKey QFGAMQHMJDTAHO-UHFFFAOYSA-N
Molecular Weight 446.672 g/mol
SMILES CCCCCCCCCCCCCCCCOC(CCCC(OC1=CC=CC(=C1)C)=O)=O