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2-(4-chloro-2-methylphenoxy)-N-pentylpropanamide
SpectraBase Compound ID 7dckuKTGcmh
InChI InChI=1S/C15H22ClNO2/c1-4-5-6-9-17-15(18)12(3)19-14-8-7-13(16)10-11(14)2/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKey ZSQMZQCQQBWFBC-UHFFFAOYSA-N
Mol Weight 283.8 g/mol
Molecular Formula C15H22ClNO2
Exact Mass 283.133907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VVAmtWMgDp
Name 2-(4-Chloro-2-methylphenoxy)-N-pentylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 283.133906650 u
Formula C15H22ClNO2
InChI InChI=1S/C15H22ClNO2/c1-4-5-6-9-17-15(18)12(3)19-14-8-7-13(16)10-11(14)2/h7-8,10,12H,4-6,9H2,1-3H3,(H,17,18)
InChIKey ZSQMZQCQQBWFBC-UHFFFAOYSA-N
Molecular Weight 283.799 g/mol
SMILES N(C(C(OC1=C(C=C(C=C1)Cl)C)C)=O)CCCCC