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2-Butene-1,4-diol, bis(heptafluorobutyrate)

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Butene-1,4-diol, bis(heptafluorobutyrate)
SpectraBase Compound ID HdraJEPR1zc
InChI InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)5(27)29-3-1-2-4-30-6(28)8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2/b2-1+
InChIKey VMCQJLHZMCISBF-OWOJBTEDSA-N
Mol Weight 480.15 g/mol
Molecular Formula C12H6F14O4
Exact Mass 480.004253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AO62DJx1Im
Name 2-Butene-1,4-diol, bis(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.004252951 u
Formula C12H6F14O4
InChI InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)5(27)29-3-1-2-4-30-6(28)8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2/b2-1+
InChIKey VMCQJLHZMCISBF-OWOJBTEDSA-N
Molecular Weight 480.154 g/mol
SMILES C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)\C=C\COC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974985