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Cyclohexanone, 2-(5-methyl-1,2,4-triazol-3-ylthio)-
SpectraBase Compound ID 48mhjSUSoja
InChI InChI=1S/C9H13N3OS/c1-6-10-9(12-11-6)14-8-5-3-2-4-7(8)13/h8H,2-5H2,1H3,(H,10,11,12)
InChIKey VQFGLNSQBFOWLX-UHFFFAOYSA-N
Mol Weight 211.28 g/mol
Molecular Formula C9H13N3OS
Exact Mass 211.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdbcUvbN6vv
Name Cyclohexanone, 2-(5-methyl-1,2,4-triazol-3-ylthio)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13N3OS
InChI InChI=1S/C9H13N3OS/c1-6-10-9(12-11-6)14-8-5-3-2-4-7(8)13/h8H,2-5H2,1H3,(H,10,11,12)
InChIKey VQFGLNSQBFOWLX-UHFFFAOYSA-N
Molecular Weight 211.283 g/mol
SMILES [nH]1c(nnc1SC1C(=O)CCCC1)C
SPLASH splash10-014i-9710000000-4cdc65eb2888e4b27ae5
Synonyms 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-cyclohexanone 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]cyclohexanone 2-[(5-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone
Wiley ID 1454366