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1,14-Docosanediol

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

1,14-Docosanediol
SpectraBase Compound ID Hqi2MZepRxb
InChI InChI=1S/C22H46O2/c1-2-3-4-5-13-16-19-22(24)20-17-14-11-9-7-6-8-10-12-15-18-21-23/h22-24H,2-21H2,1H3
InChIKey KETXCPXJKBEFCO-UHFFFAOYSA-N
Mol Weight 342.6 g/mol
Molecular Formula C22H46O2
Exact Mass 342.349781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FdLDH2k4ghH
Name 1,14-Docosanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.349780719 u
Formula C22H46O2
InChI InChI=1S/C22H46O2/c1-2-3-4-5-13-16-19-22(24)20-17-14-11-9-7-6-8-10-12-15-18-21-23/h22-24H,2-21H2,1H3
InChIKey KETXCPXJKBEFCO-UHFFFAOYSA-N
Molecular Weight 342.608 g/mol
SMILES C(C(CCCCCCCC)O)CCCCCCCCCCCCO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911767