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3-ethyl-5-methylphenyl 2,2,2-trifluoroacetate
SpectraBase Compound ID 3JFyz2qbvk4
InChI InChI=1S/C11H11F3O2/c1-3-8-4-7(2)5-9(6-8)16-10(15)11(12,13)14/h4-6H,3H2,1-2H3
InChIKey AOPBWRRFHQOALB-UHFFFAOYSA-N
Mol Weight 232.2 g/mol
Molecular Formula C11H11F3O2
Exact Mass 232.071114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RtJRS97USZ
Name 3-ethyl-5-methylphenyl 2,2,2-trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.071114081 u
Formula C11H11F3O2
GC Column DB-5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C11H11F3O2/c1-3-8-4-7(2)5-9(6-8)16-10(15)11(12,13)14/h4-6H,3H2,1-2H3
InChIKey AOPBWRRFHQOALB-UHFFFAOYSA-N
Instrument Name Kratos MS-8
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240170610
Molecular Weight 232.202 g/mol
Quality 858
SMILES C1=C(C=C(C=C1C)CC)OC(C(F)(F)F)=O
SPLASH splash10-014i-9760000000-af851204a5983aafd32b
Source of Spectrum HRC-17-446-Figure 4-6 (DOI: 10.1002/jhrc.1240170610)
Wiley ID 1911570