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5-Chloro-1-ethyl-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID LbW11G9WM8A
InChI InChI=1S/C9H10ClNOS/c1-2-13(12)9-4-3-8(10)5-7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey XLWRBVGCZQONLK-UHFFFAOYSA-N
Mol Weight 215.7 g/mol
Molecular Formula C9H10ClNOS
Exact Mass 215.017163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9B7XpoWz94O
Name 5-Chloro-1-ethyl-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
Appearance White solid
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Formula C9H10ClNOS
InChI InChI=1S/C9H10ClNOS/c1-2-13(12)9-4-3-8(10)5-7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey XLWRBVGCZQONLK-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 215.698 g/mol
Reported Formula C9H10ClNOS
SMILES C1(=CC2=C(C=C1)S(=NC2)(CC)=O)Cl
SPLASH splash10-014l-0690000000-a5517bfdc938f7f7599f
Source of Spectrum ACI-57-SM17-4c (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.45 (EtOAc/MeOH, 10:1)
Wiley ID 1893366