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2-tert-Butylphenyl trichloroacetate

View entire compound with spectra: 1 MS (GC)

2-tert-Butylphenyl trichloroacetate
SpectraBase Compound ID q6M6seUhVs
InChI InChI=1S/C12H13Cl3O2/c1-11(2,3)8-6-4-5-7-9(8)17-10(16)12(13,14)15/h4-7H,1-3H3
InChIKey SGMGHIIFYUPWRY-UHFFFAOYSA-N
Mol Weight 295.59 g/mol
Molecular Formula C12H13Cl3O2
Exact Mass 293.998113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Auy29nOxNL
Name 2-tert-Butylphenyl trichloroacetate
CAS Registry Number 127354-39-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl3O2
InChI InChI=1S/C12H13Cl3O2/c1-11(2,3)8-6-4-5-7-9(8)17-10(16)12(13,14)15/h4-7H,1-3H3
InChIKey SGMGHIIFYUPWRY-UHFFFAOYSA-N
Molecular Weight 295.593 g/mol
SMILES C(C(Oc1c(C(C)(C)C)cccc1)=O)(Cl)(Cl)Cl
SPLASH splash10-0006-7290000000-048a02c48527bc638f6c
Source of Spectrum J-55-4370-20
Wiley ID 1296740