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3-Fluoropropane-1,2-diyl dipalmitate

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

3-Fluoropropane-1,2-diyl dipalmitate
SpectraBase Compound ID Gtbdgpfh4If
InChI InChI=1S/C35H67FO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKey LNAJPPJQULNIFR-UHFFFAOYSA-N
Mol Weight 570.9 g/mol
Molecular Formula C35H67FO4
Exact Mass 570.502339 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 23LnVcViSfD
Name 3-Fluoropropane-1,2-diyl dipalmitate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.502338796 u
Formula C35H67FO4
InChI InChI=1S/C35H67FO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKey LNAJPPJQULNIFR-UHFFFAOYSA-N
Molecular Weight 570.915 g/mol
SMILES C(F)C(OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914418