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3,5-Dimethyl-4-[(cyclohexylsulfanyl)methyl]-1H-pyrazole
SpectraBase Compound ID IK7sgzPH6TE
InChI InChI=1S/C12H20N2S/c1-9-12(10(2)14-13-9)8-15-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,13,14)
InChIKey FHBAOVKLWQEDSV-UHFFFAOYSA-N
Mol Weight 224.37 g/mol
Molecular Formula C12H20N2S
Exact Mass 224.13472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdKsNLv8LzT
Name 3,5-Dimethyl-4-[(cyclohexylsulfanyl)methyl]-1H-pyrazole
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20N2S
InChI InChI=1S/C12H20N2S/c1-9-12(10(2)14-13-9)8-15-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3,(H,13,14)
InChIKey FHBAOVKLWQEDSV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 224.366 g/mol
SMILES [nH]1c(c(c(n1)C)CSC1CCCCC1)C
SPLASH splash10-0a4i-2900000000-a35eb36cf1cdbb72702b
Source of Spectrum RU2677484C2
Wiley ID 1874989