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methyl 3-methylbenzo[b]thien-2-yl ketone, O-[(p-chlorophenyl)carbamoyl]oxime
SpectraBase Compound ID Riak864tQ6
InChI InChI=1S/C18H15ClN2O2S/c1-11-15-5-3-4-6-16(15)24-17(11)12(2)21-23-18(22)20-14-9-7-13(19)8-10-14/h3-10H,1-2H3,(H,20,22)/b21-12+
InChIKey LVVGURLZQDMHMG-CIAFOILYSA-N
Mol Weight 358.84 g/mol
Molecular Formula C18H15ClN2O2S
Exact Mass 358.054277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PFqoa4ealD
Name Methyl 3-methylbenzo[B]thien-2-yl ketone, o-[(p-chlorophenyl)carbamoyl]oxime
Comments Computed using HOSE algorithm
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Exact Mass 358.054276603 u
Formula C18H15ClN2O2S
InChI InChI=1S/C18H15ClN2O2S/c1-11-15-5-3-4-6-16(15)24-17(11)12(2)21-23-18(22)20-14-9-7-13(19)8-10-14/h3-10H,1-2H3,(H,20,22)/b21-12+
InChIKey LVVGURLZQDMHMG-CIAFOILYSA-N
Molecular Weight 358.843 g/mol
SMILES N(C(O\N=C\(C1=C(C=2C=CC=CC2S1)C)C)=O)C=1C=CC(=CC1)Cl