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4-Hydroxymandelic acid, ethyl ester, di-pfp

View entire compound with spectra: 1 FTIR

4-Hydroxymandelic acid, ethyl ester, di-pfp
SpectraBase Compound ID aJigNUG71
InChI InChI=1S/C16H10F10O6/c1-2-30-10(27)9(32-12(29)14(19,20)16(24,25)26)7-3-5-8(6-4-7)31-11(28)13(17,18)15(21,22)23/h3-6,9H,2H2,1H3
InChIKey ZYFUHJSZXMKESO-UHFFFAOYSA-N
Mol Weight 488.23 g/mol
Molecular Formula C16H10F10O6
Exact Mass 488.03177 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GuzmaSfcFMM
Name 4-Hydroxymandelic acid, ethyl ester, di-pfp
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 488.031769666 u
Formula C16H10F10O6
InChI InChI=1S/C16H10F10O6/c1-2-30-10(27)9(32-12(29)14(19,20)16(24,25)26)7-3-5-8(6-4-7)31-11(28)13(17,18)15(21,22)23/h3-6,9H,2H2,1H3
InChIKey ZYFUHJSZXMKESO-UHFFFAOYSA-N
Molecular Weight 488.234 g/mol
SMILES C1=CC(=CC=C1OC(=O)C(C(F)(F)F)(F)F)C(OC(=O)C(C(F)(F)F)(F)F)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.94583