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5-(Dimethylamino)-3-(isopropylamino)-2-(methylthio)-2-phenyl-2H-pyrrolium Iodide
SpectraBase Compound ID CZ5wxm9fHP0
InChI InChI=1S/C16H23N3S.HI/c1-12(2)17-14-11-15(19(3)4)18-16(14,20-5)13-9-7-6-8-10-13;/h6-12,17H,1-5H3;1H
InChIKey CEYOHZVLNGPOIH-UHFFFAOYSA-N
Mol Weight 417.35347 g/mol
Molecular Formula C16H24IN3S
Exact Mass 417.073564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8p1RK4c3PZ
Name 5-(Dimethylamino)-3-(isopropylamino)-2-(methylthio)-2-phenyl-2H-pyrrolium Iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24IN3S
InChI InChI=1S/C16H23N3S.HI/c1-12(2)17-14-11-15(19(3)4)18-16(14,20-5)13-9-7-6-8-10-13;/h6-12,17H,1-5H3;1H
InChIKey CEYOHZVLNGPOIH-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1098-1071(2000)11_5_370
Molecular Weight 417.353 g/mol
SMILES [NH+]1=C(C=C(C1(c1ccccc1)SC)NC(C)C)N(C)C.[I-]
SPLASH splash10-014i-9050000000-2b0d639c59b6789089f6
Source of Spectrum HAC-11-376-7b
Synonyms 5-(dimethylamino)-3-(isopropylamino)-2-(methylthio)-2-phenyl-2H-pyrrol-1-ium iodide
Wiley ID 1775795