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2-(4-Chloro-2-methylphenoxy)acetic acid, tms
SpectraBase Compound ID AJ0ThNtSImy
InChI InChI=1S/C12H17ClO3Si/c1-9-7-10(13)5-6-11(9)15-8-12(14)16-17(2,3)4/h5-7H,8H2,1-4H3
InChIKey KZKAQIYIKKLSSW-UHFFFAOYSA-N
Mol Weight 272.8 g/mol
Molecular Formula C12H17ClO3Si
Exact Mass 272.063549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HyLaumoLblA
Name 2-(4-Chloro-2-methylphenoxy)acetic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 272.063548639 u
Formula C12H17ClO3Si
InChI InChI=1S/C12H17ClO3Si/c1-9-7-10(13)5-6-11(9)15-8-12(14)16-17(2,3)4/h5-7H,8H2,1-4H3
InChIKey KZKAQIYIKKLSSW-UHFFFAOYSA-N
SMILES CC1=C(OCC(O[Si](C)(C)C)=O)C=CC(=C1)Cl