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3,5,5-Trimethylhexylester of p-chlorophenoxyacetic acid
SpectraBase Compound ID mWg4e5IFqf
InChI InChI=1S/C17H25ClO3/c1-13(11-17(2,3)4)9-10-20-16(19)12-21-15-7-5-14(18)6-8-15/h5-8,13H,9-12H2,1-4H3
InChIKey JXLIGEIQIYBGPU-UHFFFAOYSA-N
Mol Weight 312.84 g/mol
Molecular Formula C17H25ClO3
Exact Mass 312.149222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cc6fNfGBU6J
Name 3,5,5-Trimethylhexylester of p-chlorophenoxyacetic acid
Alternate Name(s) 3,5,5-trimethylhexyl (4-chlorophenoxy)acetate
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Formula C17H25ClO3
InChI InChI=1S/C17H25ClO3/c1-13(11-17(2,3)4)9-10-20-16(19)12-21-15-7-5-14(18)6-8-15/h5-8,13H,9-12H2,1-4H3
InChIKey JXLIGEIQIYBGPU-UHFFFAOYSA-N
Molecular Weight 312.837 g/mol
SMILES C(=O)(COc1ccc(cc1)Cl)OCCC(CC(C)(C)C)C
SPLASH splash10-0a4l-9501000000-100b1c0bda26c6d437d5
Source of Spectrum RB-1982-10632-0
Wiley ID 1313259