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Phthalic acid, heptyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, heptyl 1-naphthyl ester
SpectraBase Compound ID Cvc4GAvOpfc
InChI InChI=1S/C25H26O4/c1-2-3-4-5-10-18-28-24(26)21-15-8-9-16-22(21)25(27)29-23-17-11-13-19-12-6-7-14-20(19)23/h6-9,11-17H,2-5,10,18H2,1H3
InChIKey GRDKIACBSBSKSO-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C25H26O4
Exact Mass 390.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JC4NtaepWkF
Name Phthalic acid, heptyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.183109313 u
Formula C25H26O4
InChI InChI=1S/C25H26O4/c1-2-3-4-5-10-18-28-24(26)21-15-8-9-16-22(21)25(27)29-23-17-11-13-19-12-6-7-14-20(19)23/h6-9,11-17H,2-5,10,18H2,1H3
InChIKey GRDKIACBSBSKSO-UHFFFAOYSA-N
Molecular Weight 390.479 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCC)(OC1=C2C(=CC=C1)C=CC=C2)=O