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1,5-Pentanediol, o,o'-dioctanoyl-

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

1,5-Pentanediol, o,o'-dioctanoyl-
SpectraBase Compound ID BxBuTUyLveE
InChI InChI=1S/C21H40O4/c1-3-5-7-9-12-16-20(22)24-18-14-11-15-19-25-21(23)17-13-10-8-6-4-2/h3-19H2,1-2H3
InChIKey HAPDDVNSFCRIGE-UHFFFAOYSA-N
Mol Weight 356.5 g/mol
Molecular Formula C21H40O4
Exact Mass 356.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ESBfO17QaO2
Name 1,5-Pentanediol, o,o'-dioctanoyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.292659764 u
Formula C21H40O4
InChI InChI=1S/C21H40O4/c1-3-5-7-9-12-16-20(22)24-18-14-11-15-19-25-21(23)17-13-10-8-6-4-2/h3-19H2,1-2H3
InChIKey HAPDDVNSFCRIGE-UHFFFAOYSA-N
Molecular Weight 356.547 g/mol
SMILES C(CCCCCCC)(=O)OCCCCCOC(CCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874075