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Succinic acid, 3-methylbut-2-yl 2,6-dichlorophenyl ester
SpectraBase Compound ID ElXTEuThFWX
InChI InChI=1S/C15H18Cl2O4/c1-9(2)10(3)20-13(18)7-8-14(19)21-15-11(16)5-4-6-12(15)17/h4-6,9-10H,7-8H2,1-3H3
InChIKey VJLYULWIMLVFFI-UHFFFAOYSA-N
Mol Weight 333.21 g/mol
Molecular Formula C15H18Cl2O4
Exact Mass 332.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GmKzEVAiFoB
Name Succinic acid, 3-methylbut-2-yl 2,6-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 332.058214456 u
Formula C15H18Cl2O4
InChI InChI=1S/C15H18Cl2O4/c1-9(2)10(3)20-13(18)7-8-14(19)21-15-11(16)5-4-6-12(15)17/h4-6,9-10H,7-8H2,1-3H3
InChIKey VJLYULWIMLVFFI-UHFFFAOYSA-N
Molecular Weight 333.211 g/mol
SMILES C(CC(OC(C(C)C)C)=O)C(OC1=C(C=CC=C1Cl)Cl)=O