John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9AF3LCXrCAX SpectraBase Spectrum ID=3Lq3nHWo0pK

(accessed ).
(TP-(ME,ME))-SC-Cl2-(THF)
SpectraBase Compound ID 9AF3LCXrCAX
InChI InChI=1S/C15H21BN6.C4H7O.2ClH.Sc/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-2-4-5-3-1;;;/h7-9H,1-6H3;3H,1-2,4H2;2*1H;/q;;;;+2/p-2
InChIKey GHPDWKBARDQRNO-UHFFFAOYSA-L
Mol Weight 483.1 g/mol
Molecular Formula C19H28BCl2N6OSc
Exact Mass 482.135384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Lq3nHWo0pK
Name (TP-(ME,ME))-SC-Cl2-(THF)
Compound Number 1A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28BCl2N6OSc
InChI InChI=1S/C15H21BN6.C4H7O.2ClH.Sc/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22;1-2-4-5-3-1;;;/h7-9H,1-6H3;3H,1-2,4H2;2*1H;/q;;;;+2/p-2
InChIKey GHPDWKBARDQRNO-UHFFFAOYSA-L
Literature Reference Author J.BLACKWELL,C.LEHR,Y.SUN,W.E.PIERS,S.D.PEARCE-BATCHILDER,M.J .ZAWOROTKO,V.G.YOUNG
Literature Reference Citation CAN.J.CHEM.,75,702(1997)
Literature Reference DOI 10.1139/v97-084
Molecular Weight 483.143 g/mol
Solvent C6D6
Source File Reference UWMZ869
SpectraBase Batch ID 9iclD7T5CzC