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hva-me-hfb

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

hva-me-hfb
SpectraBase Compound ID 2md6vTFwCzQ
InChI InChI=1S/C14H11F7O5/c1-25-8-4-3-6(5-7(8)22)9(11(24)26-2)10(23)12(15,16)13(17,18)14(19,20)21/h3-5,9,22H,1-2H3
InChIKey LPBSUDQVQQCGTI-UHFFFAOYSA-N
Mol Weight 392.23 g/mol
Molecular Formula C14H11F7O5
Exact Mass 392.049471 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C2qHIMmTI7C
Name hva-me-hfb
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.049470590 u
Formula C14H11F7O5
InChI InChI=1S/C14H11F7O5/c1-25-8-4-3-6(5-7(8)22)9(11(24)26-2)10(23)12(15,16)13(17,18)14(19,20)21/h3-5,9,22H,1-2H3
InChIKey LPBSUDQVQQCGTI-UHFFFAOYSA-N
Molecular Weight 392.226 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(C(C=1C=C(O)C(=CC1)OC)C(=O)OC)=O)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953522