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2,3,4,5,6-Pentafluorobenzyl heptadeuterobutyrate

View entire compound with spectra: 1 MS (GC)

2,3,4,5,6-Pentafluorobenzyl heptadeuterobutyrate
SpectraBase Compound ID Cxb3CB3EgyP
InChI InChI=1S/C11H9F5O2/c1-2-3-6(17)18-4-5-7(12)9(14)11(16)10(15)8(5)13/h2-4H2,1H3/i1D3,2D2,3D2
InChIKey PLDIFYFMDSLNAF-NCKGIQLSSA-N
Mol Weight 275.23 g/mol
Molecular Formula C11H22D7F5O2
Exact Mass 275.096208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5sO6ykhcQSQ
Name 2,3,4,5,6-Pentafluorobenzyl heptadeuterobutyrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H2D7F5O2
InChI InChI=1S/C11H9F5O2/c1-2-3-6(17)18-4-5-7(12)9(14)11(16)10(15)8(5)13/h2-4H2,1H3/i1D3,2D2,3D2
InChIKey PLDIFYFMDSLNAF-NCKGIQLSSA-N
Molecular Weight 275.226 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)COC(=O)C(C(C([2D])([2D])[2D])([2D])[2D])([2D])[2D]
SPLASH splash10-0f89-9500000000-aa2d6524561f887fd2dd
Source of Spectrum GA-1981-0-0
Wiley ID 1271649