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3-Bromo-3-methylbutyl 4-(trifluoromethyl)benzoate
SpectraBase Compound ID DD7ec8k19JZ
InChI InChI=1S/C13H14BrF3O2/c1-12(2,14)7-8-19-11(18)9-3-5-10(6-4-9)13(15,16)17/h3-6H,7-8H2,1-2H3
InChIKey YAHIOALBWZDMGH-UHFFFAOYSA-N
Mol Weight 339.15 g/mol
Molecular Formula C13H14BrF3O2
Exact Mass 338.012927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiJwxNtRek3
Name 3-Bromo-3-methylbutyl 4-(trifluoromethyl)benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.012927178 u
Formula C13H14BrF3O2
InChI InChI=1S/C13H14BrF3O2/c1-12(2,14)7-8-19-11(18)9-3-5-10(6-4-9)13(15,16)17/h3-6H,7-8H2,1-2H3
InChIKey YAHIOALBWZDMGH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 339.152 g/mol
Quality 164
Reported Formula C13H14F3O2Br
SMILES C(CCOC(C1=CC=C(C=C1)C(F)(F)F)=O)(Br)(C)C
SPLASH splash10-01b9-9600000000-02aff944ea873f9dbf39
Source of Spectrum ACI-56-SM4-Br-1c (DOI: 10.1002/anie.201708197)
Wiley ID 1896574