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(Z)-N-[2-Bromo-2-(n-octyloxycarbonyl)]vinyl-S-phenyl-S-methyl sulfoximine
SpectraBase Compound ID IG71P7Pvbk2
InChI InChI=1S/C18H26BrNO3S/c1-3-4-5-6-7-11-14-23-18(21)17(19)15-20-24(2,22)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3/b17-15-
InChIKey DBHGNAVVADHBHW-ICFOKQHNSA-N
Mol Weight 416.37 g/mol
Molecular Formula C18H26BrNO3S
Exact Mass 415.081678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53XmnKvF7w
Name (Z)-N-[2-Bromo-2-(n-octyloxycarbonyl)]vinyl-S-phenyl-S-methyl sulfoximine
Appearance Colorless oil
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Exact Mass 415.081677872 u
Formula C18H26BrNO3S
InChI InChI=1S/C18H26BrNO3S/c1-3-4-5-6-7-11-14-23-18(21)17(19)15-20-24(2,22)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3/b17-15-
InChIKey DBHGNAVVADHBHW-ICFOKQHNSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501629
Molecular Weight 416.374 g/mol
Quality 281
Reported Formula C18H26O3SNBr
SMILES C(OC(=O)\C(=C\N=S(=O)(C1=CC=CC=C1)C)Br)CCCCCCC
SPLASH splash10-05pc-1973400000-636e6c751ac9945231cc
Source of Spectrum QE-21-SM4-3c (DOI: 10.1002/chem.201501629)
Wiley ID 1906775