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Pinacol (3-nitrophenylmethanesulfonylamino)methaneboronate
SpectraBase Compound ID 1pQ9RNCHSy1
InChI InChI=1S/C14H21BN2O6S/c1-13(2)14(3,4)23-15(22-13)10-16-24(20,21)9-11-6-5-7-12(8-11)17(18)19/h5-8,16H,9-10H2,1-4H3
InChIKey FHFFTPWMEGPOEK-UHFFFAOYSA-N
Mol Weight 356.2 g/mol
Molecular Formula C14H21BN2O6S
Exact Mass 356.121338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbNskjtYnVu
Name Pinacol (3-nitrophenylmethanesulfonylamino)methaneboronate
Appearance Yellowish viscous oil
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Formula C14H21BN2O6S
InChI InChI=1S/C14H21BN2O6S/c1-13(2)14(3,4)23-15(22-13)10-16-24(20,21)9-11-6-5-7-12(8-11)17(18)19/h5-8,16H,9-10H2,1-4H3
InChIKey FHFFTPWMEGPOEK-UHFFFAOYSA-N
Instrument Name HP 5890-5972
Ionization Type EI
Molecular Weight 356.200 g/mol
SMILES N(CB1OC(C(O1)(C)C)(C)C)S(Cc1cccc(c1)[N+]([O-])=O)(=O)=O
SPLASH splash10-000l-9800000000-e01d21e91a5d67586b1a
Source of Spectrum WO2013056163A1
Wiley ID 1849516