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[HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-W-(NO)-(P-ME3)-[5,6-ETA(2)-(2H-ANISOLIUM)]-(O-TF)
SpectraBase Compound ID A0ncmAOrsKc
InChI InChI=1S/C9H10BN6.C7H7O.C3H9P.CHF3O3S.NO.W/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-8-7-5-3-2-4-6-7;1-4(2)3;2-1(3,4)8(5,6)7;1-2;/h1-10H;2-3H,5H2,1H3;1-3H3;(H,5,6,7);;/q-1;+1;;;-1;+1
InChIKey HGZFTSZZVHUFFY-UHFFFAOYSA-N
Mol Weight 759.15 g/mol
Molecular Formula C20H26BF3N7O5PSW
Exact Mass 759.100823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I3h6QuUhy
Name [HYDRIDOTRIS-(PYRAZOLYL)-BORATE]-W-(NO)-(P-ME3)-[5,6-ETA(2)-(2H-ANISOLIUM)]-(O-TF)
Compound Number 2H-13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25BF3N7O5PSW
InChI InChI=1S/C9H10BN6.C7H7O.C3H9P.CHF3O3S.NO.W/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-8-7-5-3-2-4-6-7;1-4(2)3;2-1(3,4)8(5,6)7;1-2;/h1-10H;2-3H,5H2,1H3;1-3H3;(H,5,6,7);;/q-1;+1;;;-1;+1
InChIKey HGZFTSZZVHUFFY-UHFFFAOYSA-N
Literature Reference Author J.M.KEANE,F.DING,M.SABAT,W.D.HARMAN
Literature Reference Citation J.AM.CHEM.SOC.,126,785(2004)
Literature Reference DOI 10.1021/ja0305860
Molecular Weight 758.151 g/mol
Sample ID 36733
Solvent ACETONE-D6