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2-Octadecylpropane-1,3-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Octadecylpropane-1,3-diol
SpectraBase Compound ID IOItw4Y2Vdx
InChI InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3
InChIKey HUHIKZFEXLRXRB-UHFFFAOYSA-N
Mol Weight 328.6 g/mol
Molecular Formula C21H44O2
Exact Mass 328.334131 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 70MD9j4GErt
Name 2-Octadecyl-propane-1,3-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.334130655 u
Formula C21H44O2
InChI InChI=1S/C21H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-22)20-23/h21-23H,2-20H2,1H3
InChIKey HUHIKZFEXLRXRB-UHFFFAOYSA-N
Molecular Weight 328.581 g/mol
SMILES C(O)C(CCCCCCCCCCCCCCCCCC)CO
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931138