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N-(3-{(1Z)-N-[(5-chloro-2-thienyl)carbonyl]ethanehydrazonoyl}phenyl)-2-methylpropanamide
SpectraBase Compound ID ANCyUVAtdih
InChI InChI=1S/C17H18ClN3O2S/c1-10(2)16(22)19-13-6-4-5-12(9-13)11(3)20-21-17(23)14-7-8-15(18)24-14/h4-10H,1-3H3,(H,19,22)(H,21,23)/b20-11-
InChIKey BUNCTUJGYVGTGT-JAIQZWGSSA-N
Mol Weight 363.86 g/mol
Molecular Formula C17H18ClN3O2S
Exact Mass 363.080826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vlwSihhVxh
Name N-(3-{(1Z)-N-[(5-Chloro-2-thienyl)carbonyl]ethanehydrazonoyl}phenyl)-2-methylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 363.080825704 u
Formula C17H18ClN3O2S
InChI InChI=1S/C17H18ClN3O2S/c1-10(2)16(22)19-13-6-4-5-12(9-13)11(3)20-21-17(23)14-7-8-15(18)24-14/h4-10H,1-3H3,(H,19,22)(H,21,23)/b20-11-
InChIKey BUNCTUJGYVGTGT-JAIQZWGSSA-N
Molecular Weight 363.863 g/mol
SMILES N(\N=C/(C=1C=C(NC(=O)C(C)C)C=CC1)C)C(C=1SC(Cl)=CC1)=O