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N-(4-{(1E)-N-[hydroxy(diphenyl)acetyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
SpectraBase Compound ID nb58SEWTFS
InChI InChI=1S/C27H23N3O3S/c1-19(20-14-16-23(17-15-20)28-25(31)24-13-8-18-34-24)29-30-26(32)27(33,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-18,33H,1H3,(H,28,31)(H,30,32)/b29-19+
InChIKey SDKWKSRDTNUHCG-VUTHCHCSSA-N
Mol Weight 469.56 g/mol
Molecular Formula C27H23N3O3S
Exact Mass 469.146013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DanNIf4L0Hr
Name N-(4-{(1E)-N-[Hydroxy(diphenyl)acetyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 469.146012784 u
Formula C27H23N3O3S
InChI InChI=1S/C27H23N3O3S/c1-19(20-14-16-23(17-15-20)28-25(31)24-13-8-18-34-24)29-30-26(32)27(33,21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-18,33H,1H3,(H,28,31)(H,30,32)/b29-19+
InChIKey SDKWKSRDTNUHCG-VUTHCHCSSA-N
Molecular Weight 469.559 g/mol
SMILES OC(C(N\N=C\(C1=CC=C(NC(C=2SC=CC2)=O)C=C1)C)=O)(C=1C=CC=CC1)C1=CC=CC=C1