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N-(Phenyl MIDA boronate-4-yl)-S-cyclopropyl-S-phenylsulfoximine
SpectraBase Compound ID 64U8jFQgEXS
InChI InChI=1S/C20H21BN2O5S/c1-23-13-19(24)27-21(28-20(25)14-23)15-7-9-16(10-8-15)22-29(26,18-11-12-18)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3
InChIKey MVIHKOAAZBKAFN-UHFFFAOYSA-N
Mol Weight 412.3 g/mol
Molecular Formula C20H21BN2O5S
Exact Mass 412.126423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS0D95QsJ5Y
Name N-(Phenyl MIDA boronate-4-yl)-S-cyclopropyl-S-phenylsulfoximine
Alternate Name(s) 2-(4-((cyclopropyl(oxo)(phenyl)-lambda6-sulfaneylidene)amino)phenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21BN2O5S
InChI InChI=1S/C20H21BN2O5S/c1-23-13-19(24)27-21(28-20(25)14-23)15-7-9-16(10-8-15)22-29(26,18-11-12-18)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3
InChIKey MVIHKOAAZBKAFN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201701394
Molecular Weight 412.267 g/mol
SMILES c1cc(ccc1B1OC(CN(CC(O1)=O)C)=O)N=S(C1CC1)(=O)c1ccccc1
SPLASH splash10-0a6r-9100000000-04bdd882f4f70856587e
Source of Spectrum ASC-360-SM7-2e
Wiley ID 1811782