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1,3-Propanediol, bis(heptafluorobutyrate)

View entire compound with spectra: 1 FTIR

1,3-Propanediol, bis(heptafluorobutyrate)
SpectraBase Compound ID A71LLNZCEF3
InChI InChI=1S/C11H6F14O4/c12-6(13,8(16,17)10(20,21)22)4(26)28-2-1-3-29-5(27)7(14,15)9(18,19)11(23,24)25/h1-3H2
InChIKey GHMHMCMIEVQLKF-UHFFFAOYSA-N
Mol Weight 468.14 g/mol
Molecular Formula C11H6F14O4
Exact Mass 468.004253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID COcx8S53Ry0
Name 1,3-Propanediol, bis(heptafluorobutyrate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.004252951 u
Formula C11H6F14O4
InChI InChI=1S/C11H6F14O4/c12-6(13,8(16,17)10(20,21)22)4(26)28-2-1-3-29-5(27)7(14,15)9(18,19)11(23,24)25/h1-3H2
InChIKey GHMHMCMIEVQLKF-UHFFFAOYSA-N
Molecular Weight 468.143 g/mol
SMILES C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)CCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975765