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2-[2-[2,4-bis(Chloranyl)phenoxy]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide
SpectraBase Compound ID 9XWroyihH8Z
InChI InChI=1S/C15H14Cl2N2O3S/c1-7-8(2)23-15(13(7)14(18)21)19-12(20)6-22-11-4-3-9(16)5-10(11)17/h3-5H,6H2,1-2H3,(H2,18,21)(H,19,20)
InChIKey DJBGDBNDJPJRDB-UHFFFAOYSA-N
Mol Weight 373.25 g/mol
Molecular Formula C15H14Cl2N2O3S
Exact Mass 372.010219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ttVAvRibEd
Name 2-[2-[2,4-bis(Chloranyl)phenoxy]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 372.010218890 u
Formula C15H14Cl2N2O3S
InChI InChI=1S/C15H14Cl2N2O3S/c1-7-8(2)23-15(13(7)14(18)21)19-12(20)6-22-11-4-3-9(16)5-10(11)17/h3-5H,6H2,1-2H3,(H2,18,21)(H,19,20)
InChIKey DJBGDBNDJPJRDB-UHFFFAOYSA-N
Molecular Weight 373.254 g/mol
SMILES CC=1SC(=C(C1C)C(N)=O)NC(=O)COC1=C(C=C(C=C1)Cl)Cl