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XNTHKXPWVLUICE-UHFFFAOYSA-O

View entire compound with spectra: 2 NMR

XNTHKXPWVLUICE-UHFFFAOYSA-O
SpectraBase Compound ID CspVAl1STsu
InChI InChI=1S/C18HBF15O4S.C8H11N/c20-4-1(5(21)11(27)16(32)10(4)26)19(38-39(35,36)37,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;1-9(2)8-6-4-3-5-7-8/h(H,35,36,37);3-7H,1-2H3/q-1;/p+1
InChIKey XNTHKXPWVLUICE-UHFFFAOYSA-O
Mol Weight 731.2 g/mol
Molecular Formula C26H13BF15NO4S
Exact Mass 731.041882 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wW8Z8jTOGa
Name XNTHKXPWVLUICE-UHFFFAOYSA-O
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H13BF15NO4S
InChI InChI=1S/C18HBF15O4S.C8H11N/c20-4-1(5(21)11(27)16(32)10(4)26)19(38-39(35,36)37,2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25;1-9(2)8-6-4-3-5-7-8/h(H,35,36,37);3-7H,1-2H3/q-1;/p+1
InChIKey XNTHKXPWVLUICE-UHFFFAOYSA-O
Literature Reference Author J.ZHOU,S.J.LANCASTER,D.A.WALKER,S.BECK,M.THORNTON-PETT,M.BOC HMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,223(2001)
Literature Reference DOI 10.1021/ja002820h
Solvent CD3OD
Source File Reference UWVN27845