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Glutaric acid, hexa-1,5-dien-3-yl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 4GWvKbNU9Mw
InChI InChI=1S/C17H17Cl3O4/c1-3-6-12(4-2)23-15(21)7-5-8-16(22)24-17-13(19)9-11(18)10-14(17)20/h3-4,9-10,12H,1-2,5-8H2
InChIKey KTMCAEBJFPYSCZ-UHFFFAOYSA-N
Mol Weight 391.68 g/mol
Molecular Formula C17H17Cl3O4
Exact Mass 390.019242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eyZSKwIG8U
Name Glutaric acid, hexa-1,5-dien-3-yl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.019242123 u
Formula C17H17Cl3O4
InChI InChI=1S/C17H17Cl3O4/c1-3-6-12(4-2)23-15(21)7-5-8-16(22)24-17-13(19)9-11(18)10-14(17)20/h3-4,9-10,12H,1-2,5-8H2
InChIKey KTMCAEBJFPYSCZ-UHFFFAOYSA-N
Molecular Weight 391.678 g/mol
SMILES C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(C=C)CC=C)=O