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4-Chloro-2-methylbenzyl alcohol, N-butyl ether

View entire compound with spectra: 1 FTIR

4-Chloro-2-methylbenzyl alcohol, N-butyl ether
SpectraBase Compound ID E2zQQPRqNMo
InChI InChI=1S/C12H17ClO/c1-3-4-7-14-9-11-5-6-12(13)8-10(11)2/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey NPVXYDUWVBHSGL-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 91XbGOOcC2T
Name 4-Chloro-2-methylbenzyl alcohol, N-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/c1-3-4-7-14-9-11-5-6-12(13)8-10(11)2/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey NPVXYDUWVBHSGL-UHFFFAOYSA-N
Molecular Weight 212.720 g/mol
SMILES C1=C(C(=CC(=C1)Cl)C)COCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823583