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1-(1-Anthraquinonyl)-2-methyl-3-phenylthioisourea

View entire compound with spectra: 1 NMR

1-(1-Anthraquinonyl)-2-methyl-3-phenylthioisourea
SpectraBase Compound ID EZHyTnsoscN
InChI InChI=1S/C22H16N2O2S/c1-27-22(23-14-8-3-2-4-9-14)24-18-13-7-12-17-19(18)21(26)16-11-6-5-10-15(16)20(17)25/h2-13H,1H3,(H,23,24)
InChIKey FRUPKTLEAJUZJZ-UHFFFAOYSA-N
Mol Weight 372.44 g/mol
Molecular Formula C22H16N2O2S
Exact Mass 372.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2mO4QrxQe8
Name 1-(1-Anthraquinonyl)-2-methyl-3-phenylthioisourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.093248935 u
Formula C22H16N2O2S
InChI InChI=1S/C22H16N2O2S/c1-27-22(23-14-8-3-2-4-9-14)24-18-13-7-12-17-19(18)21(26)16-11-6-5-10-15(16)20(17)25/h2-13H,1H3,(H,23,24)
InChIKey FRUPKTLEAJUZJZ-UHFFFAOYSA-N
Molecular Weight 372.442 g/mol
SMILES C12=C(C=CC=C2)C(C=2C(C1=O)=CC=CC2N\C(=N\C=1C=CC=CC1)SC)=O