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Glutaric acid, heptyl 2-naphthyl ester
SpectraBase Compound ID BljxGmxTp8T
InChI InChI=1S/C22H28O4/c1-2-3-4-5-8-16-25-21(23)12-9-13-22(24)26-20-15-14-18-10-6-7-11-19(18)17-20/h6-7,10-11,14-15,17H,2-5,8-9,12-13,16H2,1H3
InChIKey ZSWVMEGLAVDGMX-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7hAQarcY9f
Name Glutaric acid, heptyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-2-3-4-5-8-16-25-21(23)12-9-13-22(24)26-20-15-14-18-10-6-7-11-19(18)17-20/h6-7,10-11,14-15,17H,2-5,8-9,12-13,16H2,1H3
InChIKey ZSWVMEGLAVDGMX-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES CCCCCCCOC(CCCC(OC1=CC=C2C(=C1)C=CC=C2)=O)=O