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3-Isooctadecanyl-4-hydroxy-.alpha.-pyrone

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

3-Isooctadecanyl-4-hydroxy-.alpha.-pyrone
SpectraBase Compound ID Bi2VU8ogKDH
InChI InChI=1S/C23H40O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-22(24)18-19-26-23(21)25/h18-20,24H,3-17H2,1-2H3
InChIKey XEKYYIHOWASTHE-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C23H40O3
Exact Mass 364.297745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hv8G41ybx6y
Name 3-Isooctadecanyl-4-hydroxy-.alpha.-pyrone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.297745145 u
Formula C23H40O3
InChI InChI=1S/C23H40O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-21-22(24)18-19-26-23(21)25/h18-20,24H,3-17H2,1-2H3
InChIKey XEKYYIHOWASTHE-UHFFFAOYSA-N
Molecular Weight 364.570 g/mol
SMILES C1(C(=C(C=CO1)O)CCCCCCCCCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931839