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Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester
SpectraBase Compound ID Av1ooMxnNWD
InChI InChI=1S/C21H24O4/c1-16(2)12-13-24-20(22)8-5-9-21(23)25-15-17-10-11-18-6-3-4-7-19(18)14-17/h3-4,6-7,10-12,14H,5,8-9,13,15H2,1-2H3
InChIKey JNVXIZRFEBOSQH-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8YlpHGQL8NK
Name Glutaric acid, 3-methylbut-2-en-1-yl (2-naphthyl)methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 340.167459249 u
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-16(2)12-13-24-20(22)8-5-9-21(23)25-15-17-10-11-18-6-3-4-7-19(18)14-17/h3-4,6-7,10-12,14H,5,8-9,13,15H2,1-2H3
InChIKey JNVXIZRFEBOSQH-UHFFFAOYSA-N
Molecular Weight 340.419 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OCC1=CC2=C(C=CC=C2)C=C1)=O