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1-Ethyl-4,5-dihydro-3H-1.lambda.6-isothiazole 1-oxide
SpectraBase Compound ID NnPM1lkkA9
InChI InChI=1S/C5H11NOS/c1-2-8(7)5-3-4-6-8/h2-5H2,1H3
InChIKey XKNWFERBWAOAJG-UHFFFAOYSA-N
Mol Weight 133.21 g/mol
Molecular Formula C5H11NOS
Exact Mass 133.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DXnx23gwPD2
Name 1-Ethyl-4,5-dihydro-3H-1.lambda.6-isothiazole 1-oxide
Appearance Yellow oil
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Exact Mass 133.056135151 u
Formula C5H11NOS
InChI InChI=1S/C5H11NOS/c1-2-8(7)5-3-4-6-8/h2-5H2,1H3
InChIKey XKNWFERBWAOAJG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 133.209 g/mol
Quality 171
Reported Formula C5H11NOS
SMILES C(C)S1(=NCCC1)=O
SPLASH splash10-004i-9100000000-99e272750093dce93f72
Source of Spectrum ACI-57-SM16-2q (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.16 (EtOAc/MeOH, 5:1)
Wiley ID 1893348