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(Z)-N-{2-Bromo-2-{[(2-ethoxycarbonyl)phenoxy]carbonyl]}}vinyl-S-phenyl-S-methyl sulfoximine
SpectraBase Compound ID Eb72lQa8zSC
InChI InChI=1S/C19H18BrNO5S/c1-3-25-18(22)15-11-7-8-12-17(15)26-19(23)16(20)13-21-27(2,24)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b16-13-
InChIKey OICSBVNTVFPOCW-SSZFMOIBSA-N
Mol Weight 452.32 g/mol
Molecular Formula C19H18BrNO5S
Exact Mass 451.008907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4znoOMCasT
Name (Z)-N-{2-Bromo-2-{[(2-ethoxycarbonyl)phenoxy]carbonyl]}}vinyl-S-phenyl-S-methyl sulfoximine
Appearance Colorless oil
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Exact Mass 451.008906853 u
Formula C19H18BrNO5S
InChI InChI=1S/C19H18BrNO5S/c1-3-25-18(22)15-11-7-8-12-17(15)26-19(23)16(20)13-21-27(2,24)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3/b16-13-
InChIKey OICSBVNTVFPOCW-SSZFMOIBSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501629
Molecular Weight 452.319 g/mol
Quality 213
Reported Formula C19H18O5NBrS
SMILES C1(OC(=O)\C(=C\N=S(=O)(C2=CC=CC=C2)C)Br)=CC=CC=C1C(OCC)=O
SPLASH splash10-00bi-4920000000-cf976b1993528c494a74
Source of Spectrum QE-21-SM6-3i (DOI: 10.1002/chem.201501629)
Wiley ID 1906781