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Glutaric acid, isohexyl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, isohexyl 2-naphthyl ester
SpectraBase Compound ID 4N6XfrVeGfI
InChI InChI=1S/C21H26O4/c1-16(2)7-6-14-24-20(22)10-5-11-21(23)25-19-13-12-17-8-3-4-9-18(17)15-19/h3-4,8-9,12-13,15-16H,5-7,10-11,14H2,1-2H3
InChIKey GUPPYDGILPMMQN-UHFFFAOYSA-N
Mol Weight 342.44 g/mol
Molecular Formula C21H26O4
Exact Mass 342.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IdkldpWzSwg
Name Glutaric acid, isohexyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.183109313 u
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-16(2)7-6-14-24-20(22)10-5-11-21(23)25-19-13-12-17-8-3-4-9-18(17)15-19/h3-4,8-9,12-13,15-16H,5-7,10-11,14H2,1-2H3
InChIKey GUPPYDGILPMMQN-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES CC(C)CCCOC(CCCC(OC1=CC=C2C(=C1)C=CC=C2)=O)=O