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Succinic acid, naphth-2-ylmethyl 2-methylpentyl ester

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

Succinic acid, naphth-2-ylmethyl 2-methylpentyl ester
SpectraBase Compound ID 2oXLiiVjbGa
InChI InChI=1S/C21H26O4/c1-3-6-16(2)14-24-20(22)11-12-21(23)25-15-17-9-10-18-7-4-5-8-19(18)13-17/h4-5,7-10,13,16H,3,6,11-12,14-15H2,1-2H3
InChIKey HBQYQTKFMHGODU-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 8X9vzQzDPeJ
Name Succinic acid, naphth-2-ylmethyl 2-methylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.183109313 u
Formula C21H26O4
InChI InChI=1S/C21H26O4/c1-3-6-16(2)14-24-20(22)11-12-21(23)25-15-17-9-10-18-7-4-5-8-19(18)13-17/h4-5,7-10,13,16H,3,6,11-12,14-15H2,1-2H3
InChIKey HBQYQTKFMHGODU-UHFFFAOYSA-N
Molecular Weight 342.435 g/mol
SMILES C(CC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OCC(CCC)C)=O