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2-Bromoethyl alpha,alpha,alpha-trifluoro-m-tolyl ether; benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-; phenetole, beta-bromo-m-(trifluoromethyl)-

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2-Bromoethyl alpha,alpha,alpha-trifluoro-m-tolyl ether; benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-; phenetole, beta-bromo-m-(trifluoromethyl)-
SpectraBase Compound ID DnHHXyeh7XK
InChI InChI=1S/C9H8BrF3O/c10-4-5-14-8-3-1-2-7(6-8)9(11,12)13/h1-3,6H,4-5H2
InChIKey NZOCBKYAZHDTDD-UHFFFAOYSA-N
Mol Weight 269.06 g/mol
Molecular Formula C9H8BrF3O
Exact Mass 267.971062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZ322iZcQjp
Name 2-Bromoethyl alpha,alpha,alpha-trifluoro-m-tolyl ether; benzene, 1-(2-bromoethoxy)-3-(trifluoromethyl)-; phenetole, beta-bromo-m-(trifluoromethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.971062366 u
Formula C9H8BrF3O
InChI InChI=1S/C9H8BrF3O/c10-4-5-14-8-3-1-2-7(6-8)9(11,12)13/h1-3,6H,4-5H2
InChIKey NZOCBKYAZHDTDD-UHFFFAOYSA-N
Molecular Weight 269.061 g/mol
SMILES C1(=CC=CC(=C1)C(F)(F)F)OCCBr