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Pentafluoropropionyl-2,2,3,3,3-pentafluoropropyl ester derivative of (2H2)homovanillic acid
SpectraBase Compound ID AGd5ZerDA8e
InChI InChI=1S/C15H10F10O5/c1-28-9-4-7(5-10(26)29-6-12(16,17)14(20,21)22)2-3-8(9)30-11(27)13(18,19)15(23,24)25/h2-4H,5-6H2,1H3/i5D2
InChIKey UIWHWALKQVNGMY-BFWBPSQCSA-N
Mol Weight 462.24 g/mol
Molecular Formula C15H82D2F10O5
Exact Mass 462.049409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GoNP0a6hTN
Name Pentafluoropropionyl-2,2,3,3,3-pentafluoropropyl ester derivative of (2H2)homovanillic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8D2F10O5
InChI InChI=1S/C15H10F10O5/c1-28-9-4-7(5-10(26)29-6-12(16,17)14(20,21)22)2-3-8(9)30-11(27)13(18,19)15(23,24)25/h2-4H,5-6H2,1H3/i5D2
InChIKey UIWHWALKQVNGMY-BFWBPSQCSA-N
Molecular Weight 462.236 g/mol
SMILES C(C(Oc1c(cc(cc1)C(C(OCC(C(F)(F)F)(F)F)=O)([2D])[2D])OC)=O)(C(F)(F)F)(F)F
SPLASH splash10-03di-0021900000-021581d6c32c9f16546a
Source of Spectrum D3-1980-1045-33
Synonyms 2,2,3,3,3-Pentafluoropropyl (dideuterio)-homovanillate-(penta fluoropropionyl) derivative Pentafluoropropionyl-2,2,3,3,3-Pentafluoropropyl ester derivative of (dideuterio)-HVA
Wiley ID 1390335