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1-(Thiophen-2-yl)-3H-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID 7INBOQxZl3G
InChI InChI=1S/C11H9NOS2/c13-15(11-6-3-7-14-11)10-5-2-1-4-9(10)8-12-15/h1-7H,8H2
InChIKey SIVKTWBVKHYVIN-UHFFFAOYSA-N
Mol Weight 235.32 g/mol
Molecular Formula C11H9NOS2
Exact Mass 235.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dDXccOa1e5
Name 1-(Thiophen-2-yl)-3H-benzo[d]isothiazole 1-oxide
Appearance Yellow oil
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Exact Mass 235.012556261 u
Formula C11H9NOS2
InChI InChI=1S/C11H9NOS2/c13-15(11-6-3-7-14-11)10-5-2-1-4-9(10)8-12-15/h1-7H,8H2
InChIKey SIVKTWBVKHYVIN-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 235.319 g/mol
Reported Formula C11H9NOS2
SMILES C12=C(S(=NC2)(C=2SC=CC2)=O)C=CC=C1
SPLASH splash10-000i-0910000000-33e4ff9fe12df2332dd7
Source of Spectrum ACI-57-SM18-4l (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.67 (EtOAc/MeOH, 10:1)
Wiley ID 1893375