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4-Tert-Butyl-.beta.,o-dichlorophenetole
SpectraBase Compound ID Ibp6v9quZ5d
InChI InChI=1S/C12H16Cl2O/c1-12(2,3)9-4-5-11(10(14)8-9)15-7-6-13/h4-5,8H,6-7H2,1-3H3
InChIKey XFUFWZSWAIXWHV-UHFFFAOYSA-N
Mol Weight 247.16 g/mol
Molecular Formula C12H16Cl2O
Exact Mass 246.057821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYIFRidvL4j
Name 4-Tert-Butyl-.beta.,o-dichlorophenetole
CAS Registry Number 2051-63-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16Cl2O
InChI InChI=1S/C12H16Cl2O/c1-12(2,3)9-4-5-11(10(14)8-9)15-7-6-13/h4-5,8H,6-7H2,1-3H3
InChIKey XFUFWZSWAIXWHV-UHFFFAOYSA-N
Molecular Weight 247.165 g/mol
SMILES C(Cl)COc1c(Cl)cc(C(C)(C)C)cc1
SPLASH splash10-001i-3590000000-ff9a61cb0d34365f0b28
Source of Spectrum AA-0-1722-1
Synonyms 4-tert-Butyl-2-chloro-1-(2-chloroethoxy)benzene 4-Tert-Butyl-2-chlorophenyl 2-chloroethyl ether 4-Tert-butyl-2-chloranyl-1-(2-chloroethyloxy)benzene 4-tert-Butyl-beta,2-dichlorophenetole 4-(tert-butyl)-2-chloro-1-(2-chloroethoxy)benzene
Wiley ID 1248663