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1-(4-Chloro-2-fluorophenyl)-3-methylbutane-1,3-diol

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

1-(4-Chloro-2-fluorophenyl)-3-methylbutane-1,3-diol
SpectraBase Compound ID KUXZDHK3BMl
InChI InChI=1S/C11H14ClFO2/c1-11(2,15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5,10,14-15H,6H2,1-2H3
InChIKey IXNYKBGCTHHECC-UHFFFAOYSA-N
Mol Weight 232.68 g/mol
Molecular Formula C11H14ClFO2
Exact Mass 232.066636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DRSMbQ0raxV
Name 1-(4-Chloro-2-fluorophenyl)-3-methylbutane-1,3-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.066635552 u
Formula C11H14ClFO2
InChI InChI=1S/C11H14ClFO2/c1-11(2,15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5,10,14-15H,6H2,1-2H3
InChIKey IXNYKBGCTHHECC-UHFFFAOYSA-N
Molecular Weight 232.682 g/mol
SMILES C=1C=C(C(CC(C)(O)C)O)C(=CC1Cl)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.922256