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Glutaric acid, naphth-2-ylmethyl 2-hexyl ester
SpectraBase Compound ID EnL9vaRCniJ
InChI InChI=1S/C22H28O4/c1-3-4-8-17(2)26-22(24)12-7-11-21(23)25-16-18-13-14-19-9-5-6-10-20(19)15-18/h5-6,9-10,13-15,17H,3-4,7-8,11-12,16H2,1-2H3
InChIKey VXMGFCDGKBYLPX-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 7UV7ooiNgwM
Name Glutaric acid, naphth-2-ylmethyl 2-hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-3-4-8-17(2)26-22(24)12-7-11-21(23)25-16-18-13-14-19-9-5-6-10-20(19)15-18/h5-6,9-10,13-15,17H,3-4,7-8,11-12,16H2,1-2H3
InChIKey VXMGFCDGKBYLPX-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C(CCC(OCC1=CC2=C(C=CC=C2)C=C1)=O)C(OC(CCCC)C)=O