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3-(3,5-DIFLUOROADAMANT-1-YL)-2-BROMO-1,1,1-TRIFLUORO-PROPANE

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3-(3,5-DIFLUOROADAMANT-1-YL)-2-BROMO-1,1,1-TRIFLUORO-PROPANE
SpectraBase Compound ID Ewv0XlhpyYN
InChI InChI=1S/2C13H16BrF5/c2*14-9(13(17,18)19)4-10-1-8-2-11(15,5-10)7-12(16,3-8)6-10/h2*8-9H,1-7H2/t2*8-,9?,10-,11+,12-
InChIKey GVDAJGXSYUTUHO-TXESSAEGSA-N
Mol Weight 694.33 g/mol
Molecular Formula C26H32Br2F10
Exact Mass 692.071109 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kbc3npyOext
Name 3-(3,5-DIFLUOROADAMANT-1-YL)-2-BROMO-1,1,1-TRIFLUORO-PROPANE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32Br2F10
InChI InChI=1S/2C13H16BrF5/c2*14-9(13(17,18)19)4-10-1-8-2-11(15,5-10)7-12(16,3-8)6-10/h2*8-9H,1-7H2/t2*8-,9?,10-,11+,12-
InChIKey GVDAJGXSYUTUHO-TXESSAEGSA-N
Literature Reference Author A.HAGOOLY,I.BEN-DAVID,S.ROZEN
Literature Reference Citation J.ORG.CHEM.,67,8430(2002)
Literature Reference DOI 10.1021/jo026128b
Solvent CDCl3
Source File Reference UWVN23696