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Phthalic acid, cyclohexylmethyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, cyclohexylmethyl 4-isopropylphenyl ester
SpectraBase Compound ID 1wbu10Nd98I
InChI InChI=1S/C24H28O4/c1-17(2)19-12-14-20(15-13-19)28-24(26)22-11-7-6-10-21(22)23(25)27-16-18-8-4-3-5-9-18/h6-7,10-15,17-18H,3-5,8-9,16H2,1-2H3
InChIKey YMTSTRQVLRYEEO-UHFFFAOYSA-N
Mol Weight 380.48 g/mol
Molecular Formula C24H28O4
Exact Mass 380.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LSC3LPkoD1o
Name Phthalic acid, cyclohexylmethyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.198759378 u
Formula C24H28O4
InChI InChI=1S/C24H28O4/c1-17(2)19-12-14-20(15-13-19)28-24(26)22-11-7-6-10-21(22)23(25)27-16-18-8-4-3-5-9-18/h6-7,10-15,17-18H,3-5,8-9,16H2,1-2H3
InChIKey YMTSTRQVLRYEEO-UHFFFAOYSA-N
Molecular Weight 380.484 g/mol
SMILES C1=C(C(=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=C(C=C1)C(C)C)=O