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Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl ester
SpectraBase Compound ID 64ZtyI8s1Sx
InChI InChI=1S/C19H26Cl2O4/c1-13(2)12-14(3)24-17(22)10-5-4-6-11-18(23)25-19-15(20)8-7-9-16(19)21/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKey TYILOVREPNXZOZ-UHFFFAOYSA-N
Mol Weight 389.32 g/mol
Molecular Formula C19H26Cl2O4
Exact Mass 388.120815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63gHT2xx4fZ
Name Pimelic acid, 2,6-dichlorophenyl 4-methyl-2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.120814713 u
Formula C19H26Cl2O4
InChI InChI=1S/C19H26Cl2O4/c1-13(2)12-14(3)24-17(22)10-5-4-6-11-18(23)25-19-15(20)8-7-9-16(19)21/h7-9,13-14H,4-6,10-12H2,1-3H3
InChIKey TYILOVREPNXZOZ-UHFFFAOYSA-N
Molecular Weight 389.319 g/mol
SMILES C(OC1=C(C=CC=C1Cl)Cl)(=O)CCCCCC(OC(CC(C)C)C)=O