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4-(trideuterio(13C)methyl)-2H-furan-5-one
SpectraBase Compound ID HhXST0xlBuD
InChI InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3/i1+1D3
InChIKey VGHBEMPMIVEGJP-KQORAOOSSA-N
Mol Weight 102.11 g/mol
Molecular Formula C413CH3D3O2
Exact Mass 102.058965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bmdplmzIP7
Name 4-(trideuterio(13C)methyl)-2H-furan-5-one
Appearance Yellow liquid
Comments Original formula: C4[13C]H3D3O2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6O2
InChI InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3/i1+1D3
InChIKey VGHBEMPMIVEGJP-KQORAOOSSA-N
Ionization Type EI
Molecular Weight 102.112 g/mol
SMILES C1OC(C(=C1)[13C]([D])([D])[D])=O
SPLASH splash10-0udi-2900000000-297b74ad9963f3a6da00
Source of Spectrum CN104557815A
Wiley ID 1850381