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NO-NAME;MAIN-ISOMER;ANTI-BETAINE

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NO-NAME;MAIN-ISOMER;ANTI-BETAINE
SpectraBase Compound ID 5yniYqVJfXl
InChI InChI=1S/C19H3BF15.C17H10.CH3.Zr/c1-20(2-5(21)11(27)17(33)12(28)6(2)22,3-7(23)13(29)18(34)14(30)8(3)24)4-9(25)15(31)19(35)16(32)10(4)26;1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;/h1H3;3,6-7,10H,1-2H3;1H3;/q-1;;;+1
InChIKey ORDJPCDFUKLGOA-UHFFFAOYSA-N
Mol Weight 847.55 g/mol
Molecular Formula C37H16BF15Zr
Exact Mass 846.015252 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rN1qMglxEL
Name NO-NAME;MAIN-ISOMER;ANTI-BETAINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H16BF15Zr
InChI InChI=1S/C19H3BF15.C17H10.CH3.Zr/c1-20(2-5(21)11(27)17(33)12(28)6(2)22,3-7(23)13(29)18(34)14(30)8(3)24)4-9(25)15(31)19(35)16(32)10(4)26;1-17(2,14-8-4-5-9-14)16-12-11-13-7-3-6-10-15(13)16;;/h1H3;3,6-7,10H,1-2H3;1H3;/q-1;;;+1
InChIKey ORDJPCDFUKLGOA-UHFFFAOYSA-N
Literature Reference Author J.W.STRAUCH,J.L.FAURE,S.BREDEAU,C.WANG,G.KEHR,R.FROEHLICH,H. LUFTMANN,G.ERKER
Literature Reference Citation J.AM.CHEM.SOC.,126,2089(2004)
Literature Reference DOI 10.1021/ja035739y
Solvent DICHLOROMETHANE-D2
Source File Reference UWVN31904