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Phthalic acid, cyclohexyl 2-methylphenyl ester

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Phthalic acid, cyclohexyl 2-methylphenyl ester
SpectraBase Compound ID AMHStnsOapk
InChI InChI=1S/C21H22O4/c1-15-9-5-8-14-19(15)25-21(23)18-13-7-6-12-17(18)20(22)24-16-10-3-2-4-11-16/h5-9,12-14,16H,2-4,10-11H2,1H3
InChIKey GGBUAIDSGVIYBK-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l7bXH0yzLT
Name Phthalic acid, cyclohexyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-15-9-5-8-14-19(15)25-21(23)18-13-7-6-12-17(18)20(22)24-16-10-3-2-4-11-16/h5-9,12-14,16H,2-4,10-11H2,1H3
InChIKey GGBUAIDSGVIYBK-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C1=C(C(=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC=CC=C1C)=O