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1-Ethyl-5-fluoro-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID 7iNKdZSSMeE
InChI InChI=1S/C9H10FNOS/c1-2-13(12)9-4-3-8(10)5-7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey PAXQQLCWQJJMLI-UHFFFAOYSA-N
Mol Weight 199.24 g/mol
Molecular Formula C9H10FNOS
Exact Mass 199.046713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OtjA3eGSL2
Name 1-Ethyl-5-fluoro-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.046713282 u
Formula C9H10FNOS
InChI InChI=1S/C9H10FNOS/c1-2-13(12)9-4-3-8(10)5-7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey PAXQQLCWQJJMLI-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Molecular Weight 199.243 g/mol
Reported Formula C9H10FNOS
SMILES C1(=CC2=C(C=C1)S(=NC2)(CC)=O)F
SPLASH splash10-0udi-0950000000-38053f48c8ca246c5da4
Source of Spectrum ACI-57-SM17-4b (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.38 (EtOAc/MeOH, 10:1)
Wiley ID 1893365