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acetic acid, [(4-chlorophenyl)(phenylsulfonyl)amino]-, 2-[(E)-[2-(pentyloxy)phenyl]methylidene]hydrazide
SpectraBase Compound ID 8IwvG40ukhW
InChI InChI=1S/C26H28ClN3O4S/c1-2-3-9-18-34-25-13-8-7-10-21(25)19-28-29-26(31)20-30(23-16-14-22(27)15-17-23)35(32,33)24-11-5-4-6-12-24/h4-8,10-17,19H,2-3,9,18,20H2,1H3,(H,29,31)/b28-19+
InChIKey YNKRSOIYKJDXDI-TURZUDJPSA-N
Mol Weight 514.04 g/mol
Molecular Formula C26H28ClN3O4S
Exact Mass 513.148905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9JKsYsUwOYh
Name Acetic acid, [(4-chlorophenyl)(phenylsulfonyl)amino]-, 2-[(E)-[2-(pentyloxy)phenyl]methylidene]hydrazide
Comments Computed using HOSE algorithm
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Exact Mass 513.148905264 u
Formula C26H28ClN3O4S
InChI InChI=1S/C26H28ClN3O4S/c1-2-3-9-18-34-25-13-8-7-10-21(25)19-28-29-26(31)20-30(23-16-14-22(27)15-17-23)35(32,33)24-11-5-4-6-12-24/h4-8,10-17,19H,2-3,9,18,20H2,1H3,(H,29,31)/b28-19+
InChIKey YNKRSOIYKJDXDI-TURZUDJPSA-N
Molecular Weight 514.040 g/mol
SMILES N(\N=C\C1=C(OCCCCC)C=CC=C1)C(CN(S(=O)(=O)C1=CC=CC=C1)C=1C=CC(=CC1)Cl)=O