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Pentanoic-5,5,5-D3 acid, 4-oxo-, methyl ester
SpectraBase Compound ID FcjmFGJf7u4
InChI InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3/i1D3
InChIKey UAGJVSRUFNSIHR-FIBGUPNXSA-N
Mol Weight 133.16 g/mol
Molecular Formula C6H7D3O3
Exact Mass 133.081824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APOerNy7wgs
Name Pentanoic-5,5,5-D3 acid, 4-oxo-, methyl ester
Alternate Name(s) 1-(Methoxy-carbonyl)-2-(trideuterio)acetylethane Methyl (trideuterio)levulinate
CAS Registry Number 127093-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7D3O3
InChI InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3/i1D3
InChIKey UAGJVSRUFNSIHR-FIBGUPNXSA-N
Molecular Weight 133.161 g/mol
SMILES C(=O)(CCC(=O)C([D])([D])[D])OC
SPLASH splash10-0ktb-9500000000-bc22d8dcb2dc22fdf2f9
Source of Spectrum O-24-978-5
Wiley ID 1132556