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2-ACETYLPHENOL N-AMINO(4,5-BENZO-1,3,2-DIOXABOROLEN-2-YLTHIO)METHYLENEHYDRAZONE, 1-O-(4,5-DIBENZO-1,3,2-DIOXABOROLEN-2-YL)
SpectraBase Compound ID 4gHENLsay0S
InChI InChI=1S/C21H17B2N3O5S/c1-14-15-8-2-3-9-16(15)29-23(30-19-12-6-7-13-20(19)31-23)26(14)25-21(24)32-22-27-17-10-4-5-11-18(17)28-22/h2-13H,1H3,(H2,24,25)
InChIKey ICRFHVLSPVEDGL-UHFFFAOYSA-N
Mol Weight 445.1 g/mol
Molecular Formula C21H17B2N3O5S
Exact Mass 445.107502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ag9QhlsCCRw
Name 2-ACETYLPHENOL N-AMINO(4,5-BENZO-1,3,2-DIOXABOROLEN-2-YLTHIO)METHYLENEHYDRAZONE, 1-O-(4,5-DIBENZO-1,3,2-DIOXABOROLEN-2-YL)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H17B2N3O5S
InChI InChI=1S/C21H17B2N3O5S/c1-14-15-8-2-3-9-16(15)29-23(30-19-12-6-7-13-20(19)31-23)26(14)25-21(24)32-22-27-17-10-4-5-11-18(17)28-22/h2-13H,1H3,(H2,24,25)
InChIKey ICRFHVLSPVEDGL-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference L.BHAL, R.V.SINGH, J.P.TANDON (1984) Acta Chimica Hungarica: v.115, N3, 251-260.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo