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1-Hydroxyoctacosan-22-one

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

1-Hydroxyoctacosan-22-one
SpectraBase Compound ID HjSfW0xt1QA
InChI InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
InChIKey PTZHJVIKISISFU-UHFFFAOYSA-N
Mol Weight 424.8 g/mol
Molecular Formula C28H56O2
Exact Mass 424.428031 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KrLbWZdIbxm
Name 1-Hydroxyoctacosan-22-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.428031041 u
Formula C28H56O2
InChI InChI=1S/C28H56O2/c1-2-3-4-22-25-28(30)26-23-20-18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21-24-27-29/h29H,2-27H2,1H3
InChIKey PTZHJVIKISISFU-UHFFFAOYSA-N
Molecular Weight 424.754 g/mol
SMILES C(CCCCCCCCCCCCCCCCCCCCC(CCCCCC)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88805