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Glutaric acid, cyclohexylmethyl 1-naphthyl ester
SpectraBase Compound ID 8qo6LwqpjZL
InChI InChI=1S/C22H26O4/c23-21(25-16-17-8-2-1-3-9-17)14-7-15-22(24)26-20-13-6-11-18-10-4-5-12-19(18)20/h4-6,10-13,17H,1-3,7-9,14-16H2
InChIKey FWCVAQBMXYONRQ-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7BnPZjtVZG
Name Glutaric acid, cyclohexylmethyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c23-21(25-16-17-8-2-1-3-9-17)14-7-15-22(24)26-20-13-6-11-18-10-4-5-12-19(18)20/h4-6,10-13,17H,1-3,7-9,14-16H2
InChIKey FWCVAQBMXYONRQ-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O