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Phthalic acid, isobutyl 1-naphthyl ester
SpectraBase Compound ID H4imfPRVuGt
InChI InChI=1S/C22H20O4/c1-15(2)14-25-21(23)18-11-5-6-12-19(18)22(24)26-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,15H,14H2,1-2H3
InChIKey MQJCYCTXQJMFJJ-UHFFFAOYSA-N
Mol Weight 348.4 g/mol
Molecular Formula C22H20O4
Exact Mass 348.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RhwfArA4kR
Name Phthalic acid, isobutyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.136159120 u
Formula C22H20O4
InChI InChI=1S/C22H20O4/c1-15(2)14-25-21(23)18-11-5-6-12-19(18)22(24)26-20-13-7-9-16-8-3-4-10-17(16)20/h3-13,15H,14H2,1-2H3
InChIKey MQJCYCTXQJMFJJ-UHFFFAOYSA-N
Molecular Weight 348.398 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCC(C)C)(OC1=C2C(=CC=C1)C=CC=C2)=O