For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-(4-Chlorophenyl)-4-methyl-2,4-pentanediol

View entire compound with spectra: 1 NMR, and 1 FTIR

2-(4-Chlorophenyl)-4-methyl-2,4-pentanediol
SpectraBase Compound ID Ja5SUxSeAPt
InChI InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3
InChIKey SNJDSTGQYRTZJT-UHFFFAOYSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID C2IBJCIHSEB
Name 2-(4-Chlorophenyl)-4-methyl-2,4-pentanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.091707485 u
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-11(2,14)8-12(3,15)9-4-6-10(13)7-5-9/h4-7,14-15H,8H2,1-3H3
InChIKey SNJDSTGQYRTZJT-UHFFFAOYSA-N
Molecular Weight 228.719 g/mol
SMILES C1(Cl)=CC=C(C=C1)C(O)(CC(O)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951219