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Phthalic acid, 3-chlorophenyl ceclohexylmethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3-chlorophenyl ceclohexylmethyl ester
SpectraBase Compound ID 71QrJkhpsUq
InChI InChI=1S/C21H21ClO4/c22-16-9-6-10-17(13-16)26-21(24)19-12-5-4-11-18(19)20(23)25-14-15-7-2-1-3-8-15/h4-6,9-13,15H,1-3,7-8,14H2
InChIKey OPKVWMXENZQQCV-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 E7YxQThF1xt
Name Phthalic acid, 3-chlorophenyl ceclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.112836852 u
Formula C21H21ClO4
InChI InChI=1S/C21H21ClO4/c22-16-9-6-10-17(13-16)26-21(24)19-12-5-4-11-18(19)20(23)25-14-15-7-2-1-3-8-15/h4-6,9-13,15H,1-3,7-8,14H2
InChIKey OPKVWMXENZQQCV-UHFFFAOYSA-N
Molecular Weight 372.848 g/mol
SMILES C1=C(C(=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=CC(=C1)Cl)=O