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3-(3-chloro-o-tolyl)-2-(2,3,4,5,6-pentamethylbenzyl)-2-thiopseudourea, monohydrochloride

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3-(3-chloro-o-tolyl)-2-(2,3,4,5,6-pentamethylbenzyl)-2-thiopseudourea, monohydrochloride
SpectraBase Compound ID 4pFtIHPGqXF
InChI InChI=1S/C20H25ClN2S.ClH/c1-11-12(2)14(4)17(15(5)13(11)3)10-24-20(22)23-19-9-7-8-18(21)16(19)6;/h7-9H,10H2,1-6H3,(H2,22,23);1H
InChIKey MNHNAFWVYUICNN-UHFFFAOYSA-N
Mol Weight 397.41 g/mol
Molecular Formula C20H26Cl2N2S
Exact Mass 396.119375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5PiSJaBGMS
Name 3-(3-CHLORO-o-TOLYL)-2-(2,3,4,5,6-PENTAMETHYLBENZYL)-2-THIOPSEUDOUREA, MONOHYDROCHLORIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25ClN2S HCl
InChI InChI=1S/C20H25ClN2S.ClH/c1-11-12(2)14(4)17(15(5)13(11)3)10-24-20(22)23-19-9-7-8-18(21)16(19)6;/h7-9H,10H2,1-6H3,(H2,22,23);1H
InChIKey MNHNAFWVYUICNN-UHFFFAOYSA-N
Melting Point 222-225C
Molecular Weight 397.41
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PSEUDOUREA, 3-/3-CHLORO-O-TOLYL/- 2-/2,3,4,5,6-PENTAMETHYLBENZYL/- 2-THIO-, MONOHYDROCHLORIDE