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4-Chloro-2-methylbenzyl alcohol, tert.-butyl ether

View entire compound with spectra: 1 FTIR

4-Chloro-2-methylbenzyl alcohol, tert.-butyl ether
SpectraBase Compound ID KagjA6FzuAc
InChI InChI=1S/C12H17ClO/c1-9-7-11(13)6-5-10(9)8-14-12(2,3)4/h5-7H,8H2,1-4H3
InChIKey LZIIBXORMNAECJ-UHFFFAOYSA-N
Mol Weight 212.72 g/mol
Molecular Formula C12H17ClO
Exact Mass 212.096793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IOlzs6mDdzR
Name 4-Chloro-2-methylbenzyl alcohol, tert.-butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.096792866 u
Formula C12H17ClO
InChI InChI=1S/C12H17ClO/c1-9-7-11(13)6-5-10(9)8-14-12(2,3)4/h5-7H,8H2,1-4H3
InChIKey LZIIBXORMNAECJ-UHFFFAOYSA-N
Molecular Weight 212.720 g/mol
SMILES C1=C(C(=CC(=C1)Cl)C)COC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947782