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Phthalic acid, butyl (2-chlorocyclohexyl)methyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl (2-chlorocyclohexyl)methyl ester
SpectraBase Compound ID FX6DkAEiMax
InChI InChI=1S/C19H25ClO4/c1-2-3-12-23-18(21)15-9-5-6-10-16(15)19(22)24-13-14-8-4-7-11-17(14)20/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3
InChIKey JSBYJVVUNVSUIQ-UHFFFAOYSA-N
Mol Weight 352.86 g/mol
Molecular Formula C19H25ClO4
Exact Mass 352.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hrzljdKkNG
Name Phthalic acid, butyl (2-chlorocyclohexyl)methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.144136981 u
Formula C19H25ClO4
InChI InChI=1S/C19H25ClO4/c1-2-3-12-23-18(21)15-9-5-6-10-16(15)19(22)24-13-14-8-4-7-11-17(14)20/h5-6,9-10,14,17H,2-4,7-8,11-13H2,1H3
InChIKey JSBYJVVUNVSUIQ-UHFFFAOYSA-N
Molecular Weight 352.858 g/mol
SMILES C(OCC1CCCCC1Cl)(=O)C1=C(C=CC=C1)C(OCCCC)=O