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2,2-Dichloro-trans-3-octylcyclopropaneoctanoic acid, methyl ester
SpectraBase Compound ID R7tW2Cmvux
InChI InChI=1S/C20H36Cl2O2/c1-3-4-5-6-8-11-14-17-18(20(17,21)22)15-12-9-7-10-13-16-19(23)24-2/h17-18H,3-16H2,1-2H3/t17-,18-/s2
InChIKey RBBFOQZPMREZHL-YTXKPMTASA-N
Mol Weight 379.4 g/mol
Molecular Formula C20H36Cl2O2
Exact Mass 378.209236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Yv7wZ38uzn
Name 2,2-Dichloro-trans-3-octylcyclopropaneoctanoic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.209235797 u
Formula C20H36Cl2O2
InChI InChI=1S/C20H36Cl2O2/c1-3-4-5-6-8-11-14-17-18(20(17,21)22)15-12-9-7-10-13-16-19(23)24-2/h17-18H,3-16H2,1-2H3/t17-,18-/s2
InChIKey RBBFOQZPMREZHL-YTXKPMTASA-N
Molecular Weight 379.412 g/mol
SMILES C(=O)(CCCCCCC[C@]1(C([C@@]1(CCCCCCCC)[H])(Cl)Cl)[H])OC