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N-(4-{(1Z)-N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)-4-fluorobenzamide

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N-(4-{(1Z)-N-[(4-chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)-4-fluorobenzamide
SpectraBase Compound ID 3JgwL2MH1Io
InChI InChI=1S/C21H17ClFN3O3S/c1-14(25-26-30(28,29)20-12-6-17(22)7-13-20)15-4-10-19(11-5-15)24-21(27)16-2-8-18(23)9-3-16/h2-13,26H,1H3,(H,24,27)/b25-14-
InChIKey CHMXNANLADIJRA-QFEZKATASA-N
Mol Weight 445.9 g/mol
Molecular Formula C21H17ClFN3O3S
Exact Mass 445.066318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1xK2KCC8Upe
Name N-(4-{(1Z)-N-[(4-Chlorophenyl)sulfonyl]ethanehydrazonoyl}phenyl)-4-fluorobenzamide
Comments Computed using HOSE algorithm
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Exact Mass 445.066318453 u
Formula C21H17ClFN3O3S
InChI InChI=1S/C21H17ClFN3O3S/c1-14(25-26-30(28,29)20-12-6-17(22)7-13-20)15-4-10-19(11-5-15)24-21(27)16-2-8-18(23)9-3-16/h2-13,26H,1H3,(H,24,27)/b25-14-
InChIKey CHMXNANLADIJRA-QFEZKATASA-N
Molecular Weight 445.896 g/mol
SMILES N(C(C1=CC=C(C=C1)F)=O)C=1C=CC(\C(=N/NS(C2=CC=C(C=C2)Cl)(=O)=O)C)=CC1