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Phthalic acid, cyclohexylmethyl 3,4-dimethylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 3,4-dimethylphenyl ester
SpectraBase Compound ID AuLc3Uq7clp
InChI InChI=1S/C23H26O4/c1-16-12-13-19(14-17(16)2)27-23(25)21-11-7-6-10-20(21)22(24)26-15-18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3
InChIKey OBCQFLOOJDQVEV-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C23H26O4
Exact Mass 366.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7lKdlwx07dJ
Name Phthalic acid, cyclohexylmethyl 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 366.183109313 u
Formula C23H26O4
InChI InChI=1S/C23H26O4/c1-16-12-13-19(14-17(16)2)27-23(25)21-11-7-6-10-20(21)22(24)26-15-18-8-4-3-5-9-18/h6-7,10-14,18H,3-5,8-9,15H2,1-2H3
InChIKey OBCQFLOOJDQVEV-UHFFFAOYSA-N
Molecular Weight 366.457 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC(=C(C=C1)C)C)=O