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p-Chlorophenoxy-n-butylester of acetic acid
SpectraBase Compound ID CtYzrtMYu8u
InChI InChI=1S/C12H15ClO3/c1-10(14)15-8-2-3-9-16-12-6-4-11(13)5-7-12/h4-7H,2-3,8-9H2,1H3
InChIKey WVDJHBGCORPFQV-UHFFFAOYSA-N
Mol Weight 242.7 g/mol
Molecular Formula C12H15ClO3
Exact Mass 242.070972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZHORolholL
Name p-Chlorophenoxy-N-butylester of acetic acid
Comments Computed using HOSE algorithm
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Exact Mass 242.070972040 u
Formula C12H15ClO3
InChI InChI=1S/C12H15ClO3/c1-10(14)15-8-2-3-9-16-12-6-4-11(13)5-7-12/h4-7H,2-3,8-9H2,1H3
InChIKey WVDJHBGCORPFQV-UHFFFAOYSA-N
Molecular Weight 242.702 g/mol
SMILES C(=O)(OCCCCOC1=CC=C(C=C1)Cl)C