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18,18,18-Trifluoro-1-octadecanol

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

18,18,18-Trifluoro-1-octadecanol
SpectraBase Compound ID 3bRXOJQNTUB
InChI InChI=1S/C18H35F3O/c19-18(20,21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-22/h22H,1-17H2
InChIKey WVIPDCARMCGFFV-UHFFFAOYSA-N
Mol Weight 324.5 g/mol
Molecular Formula C18H35F3O
Exact Mass 324.264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3mZdip84GzL
Name 18,18,18-Trifluoro-1-octadecanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.264000235 u
Formula C18H35F3O
InChI InChI=1S/C18H35F3O/c19-18(20,21)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-22/h22H,1-17H2
InChIKey WVIPDCARMCGFFV-UHFFFAOYSA-N
Molecular Weight 324.472 g/mol
SMILES C(CCCCCCCCCCCCCCCCC(F)(F)F)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872891