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3-Methyl-5-[(2-methyl-2-propenyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
SpectraBase Compound ID 1t2ZXcchSQd
InChI InChI=1S/C13H15N3S/c1-10(2)9-17-13-15-14-11(3)16(13)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3
InChIKey TXDOSLDDEBEGSQ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnEg5qcgF1j
Name 3-Methyl-5-[(2-methyl-2-propenyl)sulfanyl]-4-phenyl-4H-1,2,4-triazole
Alternate Name(s) 1,2,4-Triazole, 3-(2-methyl-2-propenyl)thio-5-methyl-4-phenyl- 3-Methyl-5-(2-methylallylsulfanyl)-4-phenyl-1,2,4-triazole 3-Methyl-5-(2-methylallylthio)-4-phenyl-1,2,4-triazole 3-Methyl-5-(2-methylprop-2-enylsulfanyl)-4-phenyl-1,2,4-triazole 3-Methyl-5-(2-methylprop-2-enylthio)-4-phenyl-1,2,4-triazole
CAS Registry Number 256407-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3S
InChI InChI=1S/C13H15N3S/c1-10(2)9-17-13-15-14-11(3)16(13)12-7-5-4-6-8-12/h4-8H,1,9H2,2-3H3
InChIKey TXDOSLDDEBEGSQ-UHFFFAOYSA-N
Molecular Weight 245.344 g/mol
SMILES c1([n](c(nn1)C)-c1ccccc1)SCC(=C)C
SPLASH splash10-0fbi-9320000000-205505bb3802554f6a35
Source of Spectrum AD-0-2532-0
Wiley ID 1425380