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(Z)-N-(2-Bromo-2-ethoxycarbonyl)vinyl-S,S-diphenyl sulfoximine
SpectraBase Compound ID JLvymIoZTG1
InChI InChI=1S/C17H16BrNO3S/c1-2-22-17(20)16(18)13-19-23(21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKey NFIMWNYUYHKTCF-SSZFMOIBSA-N
Mol Weight 394.28 g/mol
Molecular Formula C17H16BrNO3S
Exact Mass 393.003428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHVFdSaujDw
Name (Z)-N-(2-Bromo-2-ethoxycarbonyl)vinyl-S,S-diphenyl sulfoximine
Appearance Colourless oil
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Exact Mass 393.003427550 u
Formula C17H16BrNO3S
InChI InChI=1S/C17H16BrNO3S/c1-2-22-17(20)16(18)13-19-23(21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13H,2H2,1H3/b16-13-
InChIKey NFIMWNYUYHKTCF-SSZFMOIBSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501629
Molecular Weight 394.283 g/mol
Quality 422
Reported Formula C17H16O3NBrS
SMILES C(\C(=C\N=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1)Br)(OCC)=O
SPLASH splash10-0zi1-3934000000-c9f16f62b02331495984
Source of Spectrum QE-21-SM7-3n (DOI: 10.1002/chem.201501629)
Wiley ID 1906786