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1-(4-Bromophenyl)-4,5-dihydro-3H-isothiazole 1-oxide
SpectraBase Compound ID KvvF2IX60tM
InChI InChI=1S/C9H10BrNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2
InChIKey IXVWGNRLFQDXEW-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 yROXhyyem
Name 1-(4-Bromophenyl)-4,5-dihydro-3H-isothiazole 1-oxide
Appearance White solid
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Formula C9H10BrNOS
InChI InChI=1S/C9H10BrNOS/c10-8-2-4-9(5-3-8)13(12)7-1-6-11-13/h2-5H,1,6-7H2
InChIKey IXVWGNRLFQDXEW-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804284
Reported Formula C9H10BrNOS
SMILES C1(=CC=C(C=C1)Br)S1(=NCCC1)=O
SPLASH splash10-0pb9-0090000000-81dc4574506a168c6785
Source of Spectrum ACI-57-SM14-2f (DOI: 10.1002/anie.201804284)
Thin-Layer Chromatography 0.48 (EtOAc/MeOH, 10:1)
Wiley ID 1893339