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2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide
SpectraBase Compound ID FpCl2CAepyW
InChI InChI=1S/C23H26N2O2S/c1-23(2)13-19(24-15-16-9-11-18(27-3)12-10-16)21(20(26)14-23)22(28)25-17-7-5-4-6-8-17/h4-12,24H,13-15H2,1-3H3,(H,25,28)
InChIKey ZKLMWGIWHXLPSH-UHFFFAOYSA-N
Mol Weight 394.53 g/mol
Molecular Formula C23H26N2O2S
Exact Mass 394.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 357mOLkJCq
Name 2-[(4-Methoxyphenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.171499257 u
Formula C23H26N2O2S
InChI InChI=1S/C23H26N2O2S/c1-23(2)13-19(24-15-16-9-11-18(27-3)12-10-16)21(20(26)14-23)22(28)25-17-7-5-4-6-8-17/h4-12,24H,13-15H2,1-3H3,(H,25,28)
InChIKey ZKLMWGIWHXLPSH-UHFFFAOYSA-N
Molecular Weight 394.533 g/mol
SMILES C1(C(NC2=CC=CC=C2)=S)=C(NCC=2C=CC(OC)=CC2)CC(CC1=O)(C)C