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4-((cyclohexyldisulfanyl)methyl)-3,5-dimethylisoxazole
SpectraBase Compound ID 4J5WVNzii2S
InChI InChI=1S/C12H19NOS2/c1-9-12(10(2)14-13-9)8-15-16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKey MJGRTUJCSSRAAW-UHFFFAOYSA-N
Mol Weight 257.41 g/mol
Molecular Formula C12H19NOS2
Exact Mass 257.090807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9VLoV5St5Q
Name 4-((cyclohexyldisulfanyl)methyl)-3,5-dimethylisoxazole
Appearance Colorless oil
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Formula C12H19NOS2
InChI InChI=1S/C12H19NOS2/c1-9-12(10(2)14-13-9)8-15-16-11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKey MJGRTUJCSSRAAW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 257.410 g/mol
Reported Formula C12H19NOS2
SMILES C1(CCCCC1)SSCc1c(noc1C)C
SPLASH splash10-03di-5900000000-094c0aa912b17d5ca189
Source of Spectrum CN113880737A
Wiley ID 1882354