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(Z)-4-Benzylidene-1-(3-bromophenyl)-4,5-dihydro-3H-1.lambda.6-isothiazol-3-one-1-oxide
SpectraBase Compound ID 6OY2z5rUPkO
InChI InChI=1S/C16H12BrNO2S/c17-14-7-4-8-15(10-14)21(20)11-13(16(19)18-21)9-12-5-2-1-3-6-12/h1-10H,11H2/b13-9+
InChIKey MPVAATIUCORHHQ-UKTHLTGXSA-N
Mol Weight 362.24 g/mol
Molecular Formula C16H12BrNO2S
Exact Mass 360.977213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5gf2UDSkRki
Name (Z)-4-Benzylidene-1-(3-bromophenyl)-4,5-dihydro-3H-1.lambda.6-isothiazol-3-one-1-oxide
Appearance Yellow oil
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Formula C16H12BrNO2S
InChI InChI=1S/C16H12BrNO2S/c17-14-7-4-8-15(10-14)21(20)11-13(16(19)18-21)9-12-5-2-1-3-6-12/h1-10H,11H2/b13-9+
InChIKey MPVAATIUCORHHQ-UKTHLTGXSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c03041
Molecular Weight 362.241 g/mol
Reported Formula C16H12NO2SBr
SMILES C1S(=NC(\C1=C/c1ccccc1)=O)(c1cc(ccc1)Br)=O
SPLASH splash10-03di-0409000000-06b2ea4ffffba2d1732c
Source of Spectrum A1-23-SM13-2k
Wiley ID 1868115