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Phthalic acid, 1-naphthyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-naphthyl octyl ester
SpectraBase Compound ID Iup089OS8IS
InChI InChI=1S/C26H28O4/c1-2-3-4-5-6-11-19-29-25(27)22-16-9-10-17-23(22)26(28)30-24-18-12-14-20-13-7-8-15-21(20)24/h7-10,12-18H,2-6,11,19H2,1H3
InChIKey YSRDFBWOWLKAEY-UHFFFAOYSA-N
Mol Weight 404.51 g/mol
Molecular Formula C26H28O4
Exact Mass 404.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38goZIvJHJm
Name Phthalic acid, 1-naphthyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.198759378 u
Formula C26H28O4
InChI InChI=1S/C26H28O4/c1-2-3-4-5-6-11-19-29-25(27)22-16-9-10-17-23(22)26(28)30-24-18-12-14-20-13-7-8-15-21(20)24/h7-10,12-18H,2-6,11,19H2,1H3
InChIKey YSRDFBWOWLKAEY-UHFFFAOYSA-N
Molecular Weight 404.506 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCCC)(OC1=C2C(=CC=C1)C=CC=C2)=O