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N-(Phenyl MIDA boronate-4-yl)-S-phenyl-S-trifluoromethylsulfoximine
SpectraBase Compound ID 3TseOwHdmqB
InChI InChI=1S/C18H16BF3N2O5S/c1-24-11-16(25)28-19(29-17(26)12-24)13-7-9-14(10-8-13)23-30(27,18(20,21)22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKey XPASBVAQQUJQAZ-UHFFFAOYSA-N
Mol Weight 440.2 g/mol
Molecular Formula C18H16BF3N2O5S
Exact Mass 440.082507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GAd2RvDUjQ
Name N-(Phenyl MIDA boronate-4-yl)-S-phenyl-S-trifluoromethylsulfoximine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BF3N2O5S
InChI InChI=1S/C18H16BF3N2O5S/c1-24-11-16(25)28-19(29-17(26)12-24)13-7-9-14(10-8-13)23-30(27,18(20,21)22)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKey XPASBVAQQUJQAZ-UHFFFAOYSA-N
Molecular Weight 440.200 g/mol
SMILES c1cc(ccc1N=S(c1ccccc1)(C(F)(F)F)=O)B1OC(CN(CC(O1)=O)C)=O
SPLASH splash10-0a4i-9300000000-4b7368e50b0e3575fa7b
Source of Spectrum ASC-360-SM7-2d
Synonyms 6-Methyl-2-(4-((oxo(phenyl)(trifluoromethyl)-lambda6-sulfaneylidene)amino)phenyl)-1,3,6,2-dioxazaborocane-4,8-dione
Wiley ID 1811781