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dl-Glyceraldehyde, di(pentafluoropropionate)

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dl-Glyceraldehyde, di(pentafluoropropionate)
SpectraBase Compound ID 6hGqhrBVvMM
InChI InChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2
InChIKey GSSCWNQAQDIFLA-UHFFFAOYSA-N
Mol Weight 382.11 g/mol
Molecular Formula C9H4F10O5
Exact Mass 381.989905 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4NH51HsCTgV
Name dl-Glyceraldehyde, di(pentafluoropropionate)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.989904854 u
Formula C9H4F10O5
InChI InChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2
InChIKey GSSCWNQAQDIFLA-UHFFFAOYSA-N
Molecular Weight 382.110 g/mol
SMILES C(OC(C(C(F)(F)F)(F)F)=O)(COC(C(C(F)(F)F)(F)F)=O)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953748