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Phthalic acid, isohexyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 1-naphthyl ester
SpectraBase Compound ID 9x05flBtao1
InChI InChI=1S/C24H24O4/c1-17(2)9-8-16-27-23(25)20-13-5-6-14-21(20)24(26)28-22-15-7-11-18-10-3-4-12-19(18)22/h3-7,10-15,17H,8-9,16H2,1-2H3
InChIKey KISYTEMLRFPHKH-UHFFFAOYSA-N
Mol Weight 376.45 g/mol
Molecular Formula C24H24O4
Exact Mass 376.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fiJRMDgmZD
Name Phthalic acid, isohexyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.167459249 u
Formula C24H24O4
InChI InChI=1S/C24H24O4/c1-17(2)9-8-16-27-23(25)20-13-5-6-14-21(20)24(26)28-22-15-7-11-18-10-3-4-12-19(18)22/h3-7,10-15,17H,8-9,16H2,1-2H3
InChIKey KISYTEMLRFPHKH-UHFFFAOYSA-N
Molecular Weight 376.452 g/mol
SMILES CC(C)CCCOC(C1=C(C(OC2=C3C(=CC=C2)C=CC=C3)=O)C=CC=C1)=O