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

*Links on SpectraBase are not permalinks.

3-Chlorophenethyl alcohol, neopentyl ether

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

3-Chlorophenethyl alcohol, neopentyl ether
SpectraBase Compound ID Kg5puvMGVgZ
InChI InChI=1S/C13H19ClO/c1-13(2,3)10-15-8-7-11-5-4-6-12(14)9-11/h4-6,9H,7-8,10H2,1-3H3
InChIKey WMYICMAWUOGGLK-UHFFFAOYSA-N
Mol Weight 226.75 g/mol
Molecular Formula C13H19ClO
Exact Mass 226.112443 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 J3CB2nv0a3E
Name 3-Chlorophenethyl alcohol, neopentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.112442931 u
Formula C13H19ClO
InChI InChI=1S/C13H19ClO/c1-13(2,3)10-15-8-7-11-5-4-6-12(14)9-11/h4-6,9H,7-8,10H2,1-3H3
InChIKey WMYICMAWUOGGLK-UHFFFAOYSA-N
Molecular Weight 226.747 g/mol
SMILES C1=C(C=C(C=C1)Cl)CCOCC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948138