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Allyl 4-tert-butyl-2-chlorophenyl ether

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

Allyl 4-tert-butyl-2-chlorophenyl ether
SpectraBase Compound ID IjQUX8K4Ba4
InChI InChI=1S/C13H17ClO/c1-5-8-15-12-7-6-10(9-11(12)14)13(2,3)4/h5-7,9H,1,8H2,2-4H3
InChIKey PGNOBUUOXZBAJQ-UHFFFAOYSA-N
Mol Weight 224.73 g/mol
Molecular Formula C13H17ClO
Exact Mass 224.096793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DPbOyoY6aB2
Name Allyl 4-tert-butyl-2-chlorophenyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.096792866 u
Formula C13H17ClO
InChI InChI=1S/C13H17ClO/c1-5-8-15-12-7-6-10(9-11(12)14)13(2,3)4/h5-7,9H,1,8H2,2-4H3
InChIKey PGNOBUUOXZBAJQ-UHFFFAOYSA-N
Molecular Weight 224.731 g/mol
SMILES C=1(C=C(Cl)C(=CC1)OCC=C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929429