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Phthalic acid, (2-chlorocyclohexyl)methyl propyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, (2-chlorocyclohexyl)methyl propyl ester
SpectraBase Compound ID EXbyK8iPWar
InChI InChI=1S/C18H23ClO4/c1-2-11-22-17(20)14-8-4-5-9-15(14)18(21)23-12-13-7-3-6-10-16(13)19/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3
InChIKey SNDQODIOTAFGIU-UHFFFAOYSA-N
Mol Weight 338.83 g/mol
Molecular Formula C18H23ClO4
Exact Mass 338.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57r9lKygIbh
Name Phthalic acid, (2-chlorocyclohexyl)methyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 338.128486917 u
Formula C18H23ClO4
InChI InChI=1S/C18H23ClO4/c1-2-11-22-17(20)14-8-4-5-9-15(14)18(21)23-12-13-7-3-6-10-16(13)19/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3
InChIKey SNDQODIOTAFGIU-UHFFFAOYSA-N
Molecular Weight 338.831 g/mol
SMILES CCCOC(C1=C(C=CC=C1)C(OCC1C(CCCC1)Cl)=O)=O