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4,8-Didecyl-3,6,9-trioxa-1,11-undecanediol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4,8-Didecyl-3,6,9-trioxa-1,11-undecanediol
SpectraBase Compound ID BD8sVObCjcD
InChI InChI=1S/C28H58O5/c1-3-5-7-9-11-13-15-17-19-27(32-23-21-29)25-31-26-28(33-24-22-30)20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3
InChIKey VLQPEGDSDAUJQC-UHFFFAOYSA-N
Mol Weight 474.8 g/mol
Molecular Formula C28H58O5
Exact Mass 474.428425 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GANdoF5oTA3
Name 4,8-Didecyl-3,6,9-trioxa-1,11-undecanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.428424963 u
Formula C28H58O5
InChI InChI=1S/C28H58O5/c1-3-5-7-9-11-13-15-17-19-27(32-23-21-29)25-31-26-28(33-24-22-30)20-18-16-14-12-10-8-6-4-2/h27-30H,3-26H2,1-2H3
InChIKey VLQPEGDSDAUJQC-UHFFFAOYSA-N
Molecular Weight 474.767 g/mol
SMILES C(OCC(OCCO)CCCCCCCCCC)C(OCCO)CCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889936