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3C-fe 2All

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

3C-fe 2All
SpectraBase Compound ID 7z8nnVRIeEd
InChI InChI=1S/C19H28FNO3/c1-6-9-21(10-7-2)15(3)12-16-13-17(22-4)19(24-11-8-20)18(14-16)23-5/h6-7,13-15H,1-2,8-12H2,3-5H3
InChIKey REXXIPJELWIJCE-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H28FNO3
Exact Mass 337.205322 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2GJDlp3JEhB
Name 3C-fe 2All
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.205321926 u
Formula C19H28FNO3
InChI InChI=1S/C19H28FNO3/c1-6-9-21(10-7-2)15(3)12-16-13-17(22-4)19(24-11-8-20)18(14-16)23-5/h6-7,13-15H,1-2,8-12H2,3-5H3
InChIKey REXXIPJELWIJCE-UHFFFAOYSA-N
Molecular Weight 337.435 g/mol
SMILES C1(=C(C=C(C=C1OC)CC(N(CC=C)CC=C)C)OC)OCCF
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94036