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2-bromo-4-(trideuterio(13C)methyl)-2H-furan-5-one
SpectraBase Compound ID 9YdRGOBsuEN
InChI InChI=1S/C5H5BrO2/c1-3-2-4(6)8-5(3)7/h2,4H,1H3/i1+1D3
InChIKey FKOULKPQMBAJDG-KQORAOOSSA-N
Mol Weight 181.01 g/mol
Molecular Formula C413CH2D3BrO2
Exact Mass 179.969477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8vl35XsAx3k
Name 2-bromo-4-(trideuterio(13C)methyl)-2H-furan-5-one
Appearance Yellow liquid
Comments Original formula: C4[13C]H2D3BrO2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5BrO2
InChI InChI=1S/C5H5BrO2/c1-3-2-4(6)8-5(3)7/h2,4H,1H3/i1+1D3
InChIKey FKOULKPQMBAJDG-KQORAOOSSA-N
Ionization Type EI
Molecular Weight 181.008 g/mol
SMILES C1(OC(C(=C1)[13C]([D])([D])[D])=O)Br
SPLASH splash10-0udi-2900000000-297b74ad9963f3a6da00
Source of Spectrum CN104557815A
Wiley ID 1850383