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Heptafluorobutyric anhydride derivative of (trideuterio)paracetamol
SpectraBase Compound ID 51EbFxRXWRb
InChI InChI=1S/C16H7F14NO4/c1-6(32)31(9(33)11(17,18)13(21,22)15(25,26)27)7-2-4-8(5-3-7)35-10(34)12(19,20)14(23,24)16(28,29)30/h2-5H,1H3/i1D3
InChIKey FHYVJMJZPYAFNV-FIBGUPNXSA-N
Mol Weight 546.23 g/mol
Molecular Formula C16H42D3F14NO4
Exact Mass 546.033982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7A9T6L3c4Q
Name Heptafluorobutyric anhydride derivative of (trideuterio)paracetamol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H4D3F14NO4
InChI InChI=1S/C16H7F14NO4/c1-6(32)31(9(33)11(17,18)13(21,22)15(25,26)27)7-2-4-8(5-3-7)35-10(34)12(19,20)14(23,24)16(28,29)30/h2-5H,1H3/i1D3
InChIKey FHYVJMJZPYAFNV-FIBGUPNXSA-N
Molecular Weight 546.231 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(N(C(=O)C([2D])([2D])[2D])c1ccc(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)cc1)=O)(F)F
SPLASH splash10-0aor-4902000000-5cede88bf4aad8183696
Source of Spectrum KO-16-185-4
Synonyms 1-Heptafluorobutanoyloxy-4-[n-heptafluorobutanoyl-N-(trideuterio)acetylamino]benzene
Wiley ID 1404918