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4-Tert-Butyl-.beta.,o-dichlorophenetole

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lc9TIEBDmGR
Name 4-Tert-butyl-beta,o-dichlorophenetole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.057820534 u
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)COC1=C(Cl)C=C(C(C)(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921375