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Glutaric acid, hexa-1,5-dien-3-yl 2,3-dichlorophenyl ester
SpectraBase Compound ID EMRqgRe5nXe
InChI InChI=1S/C17H18Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey LJDKWWGEZLJZHU-UHFFFAOYSA-N
Mol Weight 357.23 g/mol
Molecular Formula C17H18Cl2O4
Exact Mass 356.058214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6oanFDE6szG
Name Glutaric acid, hexa-1,5-dien-3-yl 2,3-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.058214456 u
Formula C17H18Cl2O4
InChI InChI=1S/C17H18Cl2O4/c1-3-7-12(4-2)22-15(20)10-6-11-16(21)23-14-9-5-8-13(18)17(14)19/h3-5,8-9,12H,1-2,6-7,10-11H2
InChIKey LJDKWWGEZLJZHU-UHFFFAOYSA-N
Molecular Weight 357.233 g/mol
SMILES C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(C=C)CC=C)=O