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3-(tert-Butylamino)-5-(dimethylamino)-2-(methylthio)-2-phenyl-2H-pyrrolium Iodide
SpectraBase Compound ID fi50NfhfRN
InChI InChI=1S/C17H25N3S.HI/c1-16(2,3)18-14-12-15(20(4)5)19-17(14,21-6)13-10-8-7-9-11-13;/h7-12,18H,1-6H3;1H
InChIKey FTQSGKOVCOBODR-UHFFFAOYSA-N
Mol Weight 431.38047 g/mol
Molecular Formula C17H26IN3S
Exact Mass 431.089214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTvB82DtT5c
Name 3-(tert-Butylamino)-5-(dimethylamino)-2-(methylthio)-2-phenyl-2H-pyrrolium Iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26IN3S
InChI InChI=1S/C17H25N3S.HI/c1-16(2,3)18-14-12-15(20(4)5)19-17(14,21-6)13-10-8-7-9-11-13;/h7-12,18H,1-6H3;1H
InChIKey FTQSGKOVCOBODR-UHFFFAOYSA-N
Literature Reference DOI 10.1002_1098-1071(2000)11_5_370
Molecular Weight 431.380 g/mol
SMILES N(C(C)(C)C)C1=CC(=[NH+]C1(c1ccccc1)SC)N(C)C.[I-]
SPLASH splash10-0a4j-3390000000-a13b5c99277ce1ef07fc
Source of Spectrum HAC-11-376-7a
Synonyms 3-(tert-butylamino)-5-(dimethylamino)-2-(methylthio)-2-phenyl-2H-pyrrol-1-ium iodide
Wiley ID 1775794