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Isophthalic acid, heptyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, heptyl 1-naphthyl ester
SpectraBase Compound ID HwA4fO3XYRN
InChI InChI=1S/C25H26O4/c1-2-3-4-5-8-17-28-24(26)20-13-9-14-21(18-20)25(27)29-23-16-10-12-19-11-6-7-15-22(19)23/h6-7,9-16,18H,2-5,8,17H2,1H3
InChIKey FNSDBNDKQWWSRW-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 5uqkUdFBqqY
Name Isophthalic 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/c1-2-3-4-5-8-17-28-24(26)20-13-9-14-21(18-20)25(27)29-23-16-10-12-19-11-6-7-15-22(19)23/h6-7,9-16,18H,2-5,8,17H2,1H3
InChIKey FNSDBNDKQWWSRW-UHFFFAOYSA-N
Molecular Weight 390.479 g/mol
SMILES C1(=CC=CC2=C1C=CC=C2)OC(C1=CC(=CC=C1)C(OCCCCCCC)=O)=O