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1,4,5-trimethyl-3-(methylsulfanyl)-4H-1,2,4-triazol-1-ium nitrate
SpectraBase Compound ID 8STUUkH6pd9
InChI InChI=1S/C6H12N3S.NO3/c1-5-8(2)6(10-4)7-9(5)3;2-1(3)4/h1-4H3;/q+1;-1
InChIKey QREXZWORECLWDS-UHFFFAOYSA-N
Mol Weight 220.25 g/mol
Molecular Formula C6H12N4O3S
Exact Mass 220.063011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IS6CLE3vrQe
Name 1,4,5-trimethyl-3-(methylsulfanyl)-4H-1,2,4-triazol-1-ium nitrate
Alternate Name(s) 1,4,5-trimethyl-3-(methylthio)-4H-1,2,4-triazol-1-ium nitrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12N4O3S
InChI InChI=1S/C6H12N3S.NO3/c1-5-8(2)6(10-4)7-9(5)3;2-1(3)4/h1-4H3;/q+1;-1
InChIKey QREXZWORECLWDS-UHFFFAOYSA-N
Molecular Weight 220.247 g/mol
SMILES [O-][N+]([O-])=O.CSc1n[n+](C)c(C)[n]1C
SPLASH splash10-052g-9600000000-4fccafa2a13ab1cd1cee
Source of Spectrum JX-2015-0-403
Wiley ID 1720352