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1,1'-(p-Phenylenedioxy)bis(3-chloro-2-propanol)

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

1,1'-(p-Phenylenedioxy)bis(3-chloro-2-propanol)
SpectraBase Compound ID 8olyBIMVkup
InChI InChI=1S/C12H16Cl2O4/c13-5-9(15)7-17-11-1-2-12(4-3-11)18-8-10(16)6-14/h1-4,9-10,15-16H,5-8H2
InChIKey CVJPKXAKDGRMIA-UHFFFAOYSA-N
Mol Weight 295.16 g/mol
Molecular Formula C12H16Cl2O4
Exact Mass 294.042564 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3j973yUliiN
Name 1,1'-(p-Phenylenedioxy)bis(3-chloro-2-propanol)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.042564391 u
Formula C12H16Cl2O4
InChI InChI=1S/C12H16Cl2O4/c13-5-9(15)7-17-11-1-2-12(4-3-11)18-8-10(16)6-14/h1-4,9-10,15-16H,5-8H2
InChIKey CVJPKXAKDGRMIA-UHFFFAOYSA-N
Molecular Weight 295.162 g/mol
SMILES C1=C(C=CC(=C1)OCC(O)CCl)OCC(O)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961202