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Phthalic acid, 4-chloro-2-methylphenyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl pentyl ester
SpectraBase Compound ID Key1bgYulGL
InChI InChI=1S/C20H21ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-18-11-10-15(21)13-14(18)2/h5-6,8-11,13H,3-4,7,12H2,1-2H3
InChIKey RQFSRMKBBZIZTD-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A3hwaOy10M2
Name Phthalic acid, 4-chloro-2-methylphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.112836852 u
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-18-11-10-15(21)13-14(18)2/h5-6,8-11,13H,3-4,7,12H2,1-2H3
InChIKey RQFSRMKBBZIZTD-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCC)=O