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Glutaric acid, 3-methylbut-2-yl (2-naphthyl)methyl ester
SpectraBase Compound ID osx2zPZNZP
InChI InChI=1S/C21H26O4/c1-15(2)16(3)25-21(23)10-6-9-20(22)24-14-17-11-12-18-7-4-5-8-19(18)13-17/h4-5,7-8,11-13,15-16H,6,9-10,14H2,1-3H3
InChIKey LJRVOYBPZHUTAZ-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 hkS2yPPn3J
Name Glutaric acid, 3-methylbut-2-yl (2-naphthyl)methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.183109313 u
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-15(2)16(3)25-21(23)10-6-9-20(22)24-14-17-11-12-18-7-4-5-8-19(18)13-17/h4-5,7-8,11-13,15-16H,6,9-10,14H2,1-3H3
InChIKey LJRVOYBPZHUTAZ-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C(CCC(OC(C(C)C)C)=O)C(OCC1=CC2=C(C=CC=C2)C=C1)=O