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Pimelic acid, 2,5-dichlorophenyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2,5-dichlorophenyl 4-methylpent-2-yl ester
SpectraBase Compound ID 33yrWwHsrP3
InChI InChI=1S/C19H26Cl2O4/c1-13(2)11-14(3)24-18(22)7-5-4-6-8-19(23)25-17-12-15(20)9-10-16(17)21/h9-10,12-14H,4-8,11H2,1-3H3
InChIKey ZSCSOTFMSXGFJZ-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 79FPzgDZUz
Name Pimelic acid, 2,5-dichlorophenyl 4-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.120814713 u
Formula C19H26Cl2O4
InChI InChI=1S/C19H26Cl2O4/c1-13(2)11-14(3)24-18(22)7-5-4-6-8-19(23)25-17-12-15(20)9-10-16(17)21/h9-10,12-14H,4-8,11H2,1-3H3
InChIKey ZSCSOTFMSXGFJZ-UHFFFAOYSA-N
Molecular Weight 389.319 g/mol
SMILES C(CCCC(OC(CC(C)C)C)=O)CC(OC=1C=C(C=CC1Cl)Cl)=O