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N-[2-(p-chlorophenoxy)ethyl]-3-methoxypropionamide
SpectraBase Compound ID 6zRpm65FizD
InChI InChI=1S/C12H16ClNO3/c1-16-8-6-12(15)14-7-9-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,15)
InChIKey SFMNWTQVDAVZPM-UHFFFAOYSA-N
Mol Weight 257.72 g/mol
Molecular Formula C12H16ClNO3
Exact Mass 257.081871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hNHDg5CSRG
Name N-[2-(p-Chlorophenoxy)ethyl]-3-methoxypropionamide
Comments Computed using HOSE algorithm
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Exact Mass 257.081871076 u
Formula C12H16ClNO3
InChI InChI=1S/C12H16ClNO3/c1-16-8-6-12(15)14-7-9-17-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H,14,15)
InChIKey SFMNWTQVDAVZPM-UHFFFAOYSA-N
Molecular Weight 257.717 g/mol
SMILES N(CCOC1=CC=C(C=C1)Cl)C(CCOC)=O