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2-Benzyl-3-[[(4-methylphenyl)sulfonyl]hydrazino]cyclohex-2-en-1-one
SpectraBase Compound ID AIjVrt0lUoJ
InChI InChI=1S/C20H22N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-21-19-8-5-9-20(23)18(19)14-16-6-3-2-4-7-16/h2-4,6-7,10-13,21-22H,5,8-9,14H2,1H3
InChIKey ACBYSVUPYVBGRS-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoNNBCthQXP
Name 2-Benzyl-3-[[(4-methylphenyl)sulfonyl]hydrazino]cyclohex-2-en-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.135113747 u
Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c1-15-10-12-17(13-11-15)26(24,25)22-21-19-8-5-9-20(23)18(19)14-16-6-3-2-4-7-16/h2-4,6-7,10-13,21-22H,5,8-9,14H2,1H3
InChIKey ACBYSVUPYVBGRS-UHFFFAOYSA-N
Molecular Weight 370.467 g/mol
SMILES C1(NNS(C2=CC=C(C=C2)C)(=O)=O)=C(C(=O)CCC1)CC=1C=CC=CC1