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2-(Methylthio)-4-phenyl-1-isopropyl-5-(isopropylimino)imidazole Hydrochloride
SpectraBase Compound ID 8b4tnvPO8Xs
InChI InChI=1S/C16H23N3S.ClH/c1-11(2)17-15-14(13-9-7-6-8-10-13)18-16(20-5)19(15)12(3)4;/h6-12,17H,1-5H3;1H
InChIKey TVTZASOBWCSSRK-UHFFFAOYSA-N
Mol Weight 325.9 g/mol
Molecular Formula C16H24ClN3S
Exact Mass 325.137947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzbIAynm0nJ
Name 2-(METHYLTHIO)-4-PHENYL-1-ISOPROPYL-5-(ISOPROPYL-IMINO)-IMIDAZOLE-HYDROCHLORIDE
CAS Registry Number 138877-81-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H24ClN3S
InChI InChI=1S/C16H23N3S.ClH/c1-11(2)17-15-14(13-9-7-6-8-10-13)18-16(20-5)19(15)12(3)4;/h6-12,17H,1-5H3;1H
InChIKey TVTZASOBWCSSRK-UHFFFAOYSA-N
Literature Reference Author Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,57,2121(1992)
Literature Reference DOI 10.1021/jo00033a038
Molecular Weight 325.900 g/mol
Solvent CDCl3
Source File Reference UWCS2716