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Phthalic acid, 4-chloro-3-methylphenyl cyclohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl cyclohexyl ester
SpectraBase Compound ID 7QNAa0ENVa4
InChI InChI=1S/C21H21ClO4/c1-14-13-16(11-12-19(14)22)26-21(24)18-10-6-5-9-17(18)20(23)25-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3
InChIKey WOBSJXNXDJKBSZ-UHFFFAOYSA-N
Mol Weight 372.85 g/mol
Molecular Formula C21H21ClO4
Exact Mass 372.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GYQtCCsKk29
Name Phthalic acid, 4-chloro-3-methylphenyl cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.112836852 u
Formula C21H21ClO4
InChI InChI=1S/C21H21ClO4/c1-14-13-16(11-12-19(14)22)26-21(24)18-10-6-5-9-17(18)20(23)25-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3
InChIKey WOBSJXNXDJKBSZ-UHFFFAOYSA-N
Molecular Weight 372.848 g/mol
SMILES C1=C(C(=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC=C(C(=C1)C)Cl)=O