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4-methyl-3-(methylsulfanyl)-5-(phenoxymethyl)-4H-1,2,4-triazole

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4-methyl-3-(methylsulfanyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
SpectraBase Compound ID 7nigF3CMhzS
InChI InChI=1S/C11H13N3OS/c1-14-10(12-13-11(14)16-2)8-15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey GGMPEPQVNAOVDO-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C11H13N3OS
Exact Mass 235.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CsfEDBpBJX
Name 4-Methyl-3-(methylthio)-5-(phenoxymethyl)-1,2,4-triazole
Alternate Name(s) 4-Methyl-3-methylsulfanyl-5-(phenoxymethyl)-1,2,4-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3OS
InChI InChI=1S/C11H13N3OS/c1-14-10(12-13-11(14)16-2)8-15-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey GGMPEPQVNAOVDO-UHFFFAOYSA-N
Molecular Weight 235.305 g/mol
SMILES c1ccc(OCc2[n](c(nn2)SC)C)cc1
SPLASH splash10-0006-9300000000-1e40c56fd990e9c6f0fa
Wiley ID 1465363