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Glutaric acid, cyclohexylmethyl 2,4,5-trichlorophenyl ester

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Glutaric acid, cyclohexylmethyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID TfWYM5argf
InChI InChI=1S/C18H21Cl3O4/c19-13-9-15(21)16(10-14(13)20)25-18(23)8-4-7-17(22)24-11-12-5-2-1-3-6-12/h9-10,12H,1-8,11H2
InChIKey VTJURLNYXCDFOL-UHFFFAOYSA-N
Mol Weight 407.72 g/mol
Molecular Formula C18H21Cl3O4
Exact Mass 406.050542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtNQQrgzob4
Name Glutaric acid, cyclohexylmethyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.050542252 u
Formula C18H21Cl3O4
InChI InChI=1S/C18H21Cl3O4/c19-13-9-15(21)16(10-14(13)20)25-18(23)8-4-7-17(22)24-11-12-5-2-1-3-6-12/h9-10,12H,1-8,11H2
InChIKey VTJURLNYXCDFOL-UHFFFAOYSA-N
Molecular Weight 407.721 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O