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Glutaric acid, hept-2-yl 1-naphthyl ester
SpectraBase Compound ID Ltq8iV0wCfo
InChI InChI=1S/C22H28O4/c1-3-4-5-10-17(2)25-21(23)15-9-16-22(24)26-20-14-8-12-18-11-6-7-13-19(18)20/h6-8,11-14,17H,3-5,9-10,15-16H2,1-2H3
InChIKey JLVZCTYKCTZIME-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 LsZTlqDivmG
Name Glutaric acid, hept-2-yl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-3-4-5-10-17(2)25-21(23)15-9-16-22(24)26-20-14-8-12-18-11-6-7-13-19(18)20/h6-8,11-14,17H,3-5,9-10,15-16H2,1-2H3
InChIKey JLVZCTYKCTZIME-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C(CCC(OC(C)CCCCC)=O)C(OC=1C2=C(C=CC1)C=CC=C2)=O