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2,4,5-Trimethylbenzyl trifluoroacetate
SpectraBase Compound ID feDtHg9ehX
InChI InChI=1S/C12H13F3O2/c1-7-4-9(3)10(5-8(7)2)6-17-11(16)12(13,14)15/h4-5H,6H2,1-3H3
InChIKey KLFVXDQCJHPHSA-UHFFFAOYSA-N
Mol Weight 246.23 g/mol
Molecular Formula C12H13F3O2
Exact Mass 246.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WQn2HW17Oo
Name 2,4,5-Trimethylbenzyl trifluoroacetate
CAS Registry Number 85649-60-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2
InChI InChI=1S/C12H13F3O2/c1-7-4-9(3)10(5-8(7)2)6-17-11(16)12(13,14)15/h4-5H,6H2,1-3H3
InChIKey KLFVXDQCJHPHSA-UHFFFAOYSA-N
Molecular Weight 246.229 g/mol
SMILES C(C(OCc1cc(C)c(cc1C)C)=O)(F)(F)F
SPLASH splash10-001l-5910000000-71cbee06d41da97bcee2
Source of Spectrum J-48-2225-0
Wiley ID 1248639