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2-tert-Butyl-4-methylphenyl dichloroacetate

View entire compound with spectra: 1 MS (GC)

2-tert-Butyl-4-methylphenyl dichloroacetate
SpectraBase Compound ID 45AntGLjE59
InChI InChI=1S/C13H16Cl2O2/c1-8-5-6-10(17-12(16)11(14)15)9(7-8)13(2,3)4/h5-7,11H,1-4H3
InChIKey HOLYFEXZRLBAGG-UHFFFAOYSA-N
Mol Weight 275.18 g/mol
Molecular Formula C13H16Cl2O2
Exact Mass 274.052735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKel03jO8Ew
Name 2-tert-Butyl-4-methylphenyl dichloroacetate
CAS Registry Number 127354-46-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16Cl2O2
InChI InChI=1S/C13H16Cl2O2/c1-8-5-6-10(17-12(16)11(14)15)9(7-8)13(2,3)4/h5-7,11H,1-4H3
InChIKey HOLYFEXZRLBAGG-UHFFFAOYSA-N
Molecular Weight 275.175 g/mol
SMILES C(Oc1c(C(C)(C)C)cc(cc1)C)(C(Cl)Cl)=O
SPLASH splash10-08fs-0290000000-90d9de1d864efab78426
Source of Spectrum J-55-4370-28
Wiley ID 1277834