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2-Chlorophenethyl alcohol, N-pentyl ether

View entire compound with spectra: 1 FTIR

2-Chlorophenethyl alcohol, N-pentyl ether
SpectraBase Compound ID 3WNC5ujyutY
InChI InChI=1S/C13H19ClO/c1-2-3-6-10-15-11-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey VSEBOFSKJCNNDT-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

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SpectraBase Spectrum ID 6u261w8no9P
Name 2-Chlorophenethyl alcohol, N-pentyl 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/c1-2-3-6-10-15-11-9-12-7-4-5-8-13(12)14/h4-5,7-8H,2-3,6,9-11H2,1H3
InChIKey VSEBOFSKJCNNDT-UHFFFAOYSA-N
Molecular Weight 226.747 g/mol
SMILES C1=C(C(=CC=C1)Cl)CCOCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.805181