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3,3-dideuterio-2-(trideuteriomethyl)-2-propenoic acid methyl ester
SpectraBase Compound ID 5nwYriHv9kJ
InChI InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3
InChIKey VVQNEPGJFQJSBK-KPAILUHGSA-N
Mol Weight 105.15 g/mol
Molecular Formula C5H3D5O2
Exact Mass 105.083813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fwkcMqUAck
Name 3,3-dideuterio-2-(trideuteriomethyl)-2-propenoic acid methyl ester
CAS Registry Number 55935-46-1
Comments Less than 3 mono-isotopic peaks
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Formula C5H3D5O2
InChI InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3/i1D2,2D3
InChIKey VVQNEPGJFQJSBK-KPAILUHGSA-N
Molecular Weight 105.148 g/mol
SMILES C(C(=C([D])[D])C([D])([D])[D])(=O)OC
SPLASH splash10-0a4i-0900000000-7bbee6565fcd120a08f7
Source of Spectrum B-39-1887-0
Synonyms 3,3-dideuterio-2-(trideuteriomethyl)acrylic acid methyl ester methyl 3,3-dideuterio-2-(trideuteriomethyl)prop-2-enoate
Wiley ID 1119487