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dfe 2bu

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

dfe 2bu
SpectraBase Compound ID Ka3eUp5GtZZ
InChI InChI=1S/C20H33F2NO3/c1-5-7-10-23(11-8-6-2)12-9-16-13-17(24-3)20(18(14-16)25-4)26-15-19(21)22/h13-14,19H,5-12,15H2,1-4H3
InChIKey XRQDHPKBXMDMCM-UHFFFAOYSA-N
Mol Weight 373.5 g/mol
Molecular Formula C20H33F2NO3
Exact Mass 373.24285 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4JGZ9RmKnJi
Name dfe 2bu
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.242850250 u
Formula C20H33F2NO3
InChI InChI=1S/C20H33F2NO3/c1-5-7-10-23(11-8-6-2)12-9-16-13-17(24-3)20(18(14-16)25-4)26-15-19(21)22/h13-14,19H,5-12,15H2,1-4H3
InChIKey XRQDHPKBXMDMCM-UHFFFAOYSA-N
Molecular Weight 373.485 g/mol
SMILES C1(=C(C=C(C=C1OC)CCN(CCCC)CCCC)OC)OCC(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884002