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(E)-11-(trifluoromethyl)-11-tricos-12-en-9,14-diynol

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

(E)-11-(trifluoromethyl)-11-tricos-12-en-9,14-diynol
SpectraBase Compound ID KPSUZbAR73
InChI InChI=1S/C24H37F3O/c1-3-5-7-9-11-13-14-16-18-20-22-23(28,24(25,26)27)21-19-17-15-12-10-8-6-4-2/h20,22,28H,3-15,17H2,1-2H3/b22-20+
InChIKey PFQGULIKGPGTBT-LSDHQDQOSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H37F3O
Exact Mass 398.27965 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6W5Bz70RSIN
Name (E)-11-(Trifluoromethyl)-11-tricos-12-en-9,14-diynol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.279650299 u
Formula C24H37F3O
InChI InChI=1S/C24H37F3O/c1-3-5-7-9-11-13-14-16-18-20-22-23(28,24(25,26)27)21-19-17-15-12-10-8-6-4-2/h20,22,28H,3-15,17H2,1-2H3/b22-20+
InChIKey PFQGULIKGPGTBT-LSDHQDQOSA-N
Molecular Weight 398.554 g/mol
SMILES C(C(C#CCCCCCCCC)(\C=C\C#CCCCCCCCC)O)(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913317