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4-Bromo-1-ethyl-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
SpectraBase Compound ID 9LsaGjOkbM5
InChI InChI=1S/C9H10BrNOS/c1-2-13(12)9-5-3-4-8(10)7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey WZEMZTHANHJXJQ-UHFFFAOYSA-N
Mol Weight 260.15 g/mol
Molecular Formula C9H10BrNOS
Exact Mass 258.966648 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 48AqKzJ1U0
Name 4-Bromo-1-ethyl-3H-1.lambda.4-benzo[d]isothiazole 1-oxide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10BrNOS
InChI InChI=1S/C9H10BrNOS/c1-2-13(12)9-5-3-4-8(10)7(9)6-11-13/h3-5H,2,6H2,1H3
InChIKey WZEMZTHANHJXJQ-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Reported Formula C9H10BrNOS
SMILES C1=C(C2=C(C=C1)S(=NC2)(CC)=O)Br
SPLASH splash10-03dr-0490000000-4c8f724a8dfc06af3f0a
Source of Spectrum ACI-57-SM18-4h (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.55 (EtOAc/MeOH, 10:1)
Wiley ID 1893371