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1,4-Dihydro-2-(methylthio)-5-isopropyl-1,4,4-triphenyl-1,3,5-triazinium iodide
SpectraBase Compound ID EGb5PDg5Ipq
InChI InChI=1S/C25H26N3S.HI/c1-20(2)28-19-27(23-17-11-6-12-18-23)24(29-3)26-25(28,21-13-7-4-8-14-21)22-15-9-5-10-16-22;/h4-20H,1-3H3;1H/q+1;/p-1
InChIKey WZNVVTVUWOKQRJ-UHFFFAOYSA-M
Mol Weight 527.47 g/mol
Molecular Formula C25H26IN3S
Exact Mass 527.089214 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kxkOOjAOur
Name 1,4-Dihydro-2-(methylthio)-5-isopropyl-1,4,4-triphenyl-1,3,5-triazinium iodide
Alternate Name(s) 1-isopropyl-4-(methylsulfanyl)-2,2,5-triphenyl-2,5-dihydro-1,3,5-triazin-1-ium iodide
CAS Registry Number 118515-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26IN3S
InChI InChI=1S/C25H26N3S.HI/c1-20(2)28-19-27(23-17-11-6-12-18-23)24(29-3)26-25(28,21-13-7-4-8-14-21)22-15-9-5-10-16-22;/h4-20H,1-3H3;1H/q+1;/p-1
InChIKey WZNVVTVUWOKQRJ-UHFFFAOYSA-M
Molecular Weight 527.468 g/mol
SMILES [I-].C1([N+](=CN(C(=N1)SC)c1ccccc1)C(C)C)(c1ccccc1)c1ccccc1
SPLASH splash10-005i-5920000000-5c0e08b7efe28e665527
Source of Spectrum J-54-1190-17
Wiley ID 1402944