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Pentafluorobenzyl 9-oxo-5,5,6,6-tetradeuterionanoate
SpectraBase Compound ID GpXBgbwn05S
InChI InChI=1S/C16H17F5O3/c17-11-12(18)14(20)16(15(21)13(11)19)24-10(23)8-6-4-2-1-3-5-7-9-22/h9H,1-8H2/i1D2,2D2
InChIKey LLRCHJMUYSQSSY-LNLMKGTHSA-N
Mol Weight 356.33 g/mol
Molecular Formula C16H13D4F5O3
Exact Mass 356.134892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ArAedO0BJg1
Name Pentafluorobenzyl 9-oxo-5,5,6,6-tetradeuterionanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13D4F5O3
InChI InChI=1S/C16H17F5O3/c17-11-12(18)14(20)16(15(21)13(11)19)24-10(23)8-6-4-2-1-3-5-7-9-22/h9H,1-8H2/i1D2,2D2
InChIKey LLRCHJMUYSQSSY-LNLMKGTHSA-N
Molecular Weight 356.325 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)OC(=O)CCCC(C([D])([D])CCCC=O)([D])[D]
SPLASH splash10-001i-3900000000-d15b306c859ea26d59cd
Source of Spectrum SK-23-3233-8
Synonyms Pentafluorophenyl 10-oxo(5,5,6,6-2H4)decanoate
Wiley ID 865840