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2-Butanone, 4-phenyl-3-thiosemicarbazone

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2-Butanone, 4-phenyl-3-thiosemicarbazone
SpectraBase Compound ID BCvaZAO9VLm
InChI InChI=1S/C11H15N3S/c1-3-9(2)13-14-11(15)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14,15)/b13-9+
InChIKey RRSRYQRUWVVWHI-UKTHLTGXSA-N
Mol Weight 221.32 g/mol
Molecular Formula C11H15N3S
Exact Mass 221.098669 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRL68sit6fh
Name 2-Butanone, 4-phenyl-3-thiosemicarbazone; hydrazinecarbothioamide, 2-(1-methylpropylidene)-N-phenyl-; semicarbazide, 1-sec-butylidene-4-phenyl-3-thio-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.098668669 u
Formula C11H15N3S
InChI InChI=1S/C11H15N3S/c1-3-9(2)13-14-11(15)12-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H2,12,14,15)/b13-9+
InChIKey RRSRYQRUWVVWHI-UKTHLTGXSA-N
Molecular Weight 221.322 g/mol
SMILES N(C1=CC=CC=C1)C(N\N=C\(CC)C)=S