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2,4-Dichloro-N-(1-isopropyl-2-oxoazepan-3-yl)benzamide
SpectraBase Compound ID EO28ThSL3JQ
InChI InChI=1S/C16H20Cl2N2O2/c1-10(2)20-8-4-3-5-14(16(20)22)19-15(21)12-7-6-11(17)9-13(12)18/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKey IGNRGTDSVMBDMP-UHFFFAOYSA-N
Mol Weight 343.25 g/mol
Molecular Formula C16H20Cl2N2O2
Exact Mass 342.090183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZbcfa1TiwB
Name 2,4-Dichloro-N-(1-isopropyl-2-oxoazepan-3-yl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 342.090183290 u
Formula C16H20Cl2N2O2
InChI InChI=1S/C16H20Cl2N2O2/c1-10(2)20-8-4-3-5-14(16(20)22)19-15(21)12-7-6-11(17)9-13(12)18/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKey IGNRGTDSVMBDMP-UHFFFAOYSA-N
Molecular Weight 343.254 g/mol
SMILES C(C1=C(C=C(C=C1)Cl)Cl)(=O)NC1C(N(CCCC1)C(C)C)=O