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(Z)-2,2-difluoro-13-octadecenoic acid ethyl ester

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

(Z)-2,2-difluoro-13-octadecenoic acid ethyl ester
SpectraBase Compound ID 2xZF1ZMo1Bd
InChI InChI=1S/C20H36F2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21,22)19(23)24-4-2/h7-8H,3-6,9-18H2,1-2H3/b8-7-
InChIKey FISOAGKGMRJQCV-FPLPWBNLSA-N
Mol Weight 346.5 g/mol
Molecular Formula C20H36F2O2
Exact Mass 346.268337 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Lo4RFbUZmDW
Name (Z)-2,2-Difluoro-13-octadecenoic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.268336723 u
Formula C20H36F2O2
InChI InChI=1S/C20H36F2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21,22)19(23)24-4-2/h7-8H,3-6,9-18H2,1-2H3/b8-7-
InChIKey FISOAGKGMRJQCV-FPLPWBNLSA-N
Molecular Weight 346.503 g/mol
SMILES C(C(=O)OCC)(F)(F)CCCCCCCCCC\C=C/CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914607