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1,5-Pentanediol, o,o'-di(5-chlorovaleryl) ester

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

1,5-Pentanediol, o,o'-di(5-chlorovaleryl) ester
SpectraBase Compound ID BKXjb5w80dl
InChI InChI=1S/C15H26Cl2O4/c16-10-4-2-8-14(18)20-12-6-1-7-13-21-15(19)9-3-5-11-17/h1-13H2
InChIKey HGBBGQAZZKBYFA-UHFFFAOYSA-N
Mol Weight 341.28 g/mol
Molecular Formula C15H26Cl2O4
Exact Mass 340.120815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6vLLnCiaMlm
Name 1,5-Pentanediol, o,o'-di(5-chlorovaleryl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.120814713 u
Formula C15H26Cl2O4
InChI InChI=1S/C15H26Cl2O4/c16-10-4-2-8-14(18)20-12-6-1-7-13-21-15(19)9-3-5-11-17/h1-13H2
InChIKey HGBBGQAZZKBYFA-UHFFFAOYSA-N
Molecular Weight 341.275 g/mol
SMILES C(OCCCCCOC(CCCCCl)=O)(CCCCCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887063