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2-BROMO-3-ETHYL-1,1,1-TRIFLUOROHEPTANE

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2-BROMO-3-ETHYL-1,1,1-TRIFLUOROHEPTANE
SpectraBase Compound ID 9hywvH7WRqn
InChI InChI=1S/2C9H16BrF3/c2*1-3-5-6-7(4-2)8(10)9(11,12)13/h2*7-8H,3-6H2,1-2H3
InChIKey ZHUSXNSBFMWHNR-UHFFFAOYSA-N
Mol Weight 522.25 g/mol
Molecular Formula C18H32Br2F6
Exact Mass 520.077496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6x6kFXFMW1s
Name 2-BROMO-3-ETHYL-1,1,1-TRIFLUOROHEPTANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32Br2F6
InChI InChI=1S/2C9H16BrF3/c2*1-3-5-6-7(4-2)8(10)9(11,12)13/h2*7-8H,3-6H2,1-2H3
InChIKey ZHUSXNSBFMWHNR-UHFFFAOYSA-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
Molecular Weight 522.250 g/mol
Solvent CDCl3
Source File Reference UWVN23686