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[2,5,7-Trideuterio]-caffeyl alcohol
SpectraBase Compound ID FwanwTrSWXp
InChI InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+/i2D,4D,6D
InChIKey ZCKDCRKBURQZPT-MTDDTNFYSA-N
Mol Weight 169.19 g/mol
Molecular Formula C9H7D3O3
Exact Mass 169.081824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCFuU4GaU5q
Name [2,5,7-Trideuterio]-caffeyl alcohol
Alternate Name(s) 3,6-Dideuterio-4-[(E)-1-deuterio-3-hydroxyprop-1-enyl]benzene-1,2-diol 3,6-Dideuterio-4-[(E)-1-deuterio-3-hydroxy-prop-1-enyl]benzene-1,2-diol 3,6-Dideuterio-4-[(E)-1-deuterio-3-oxidanyl-prop-1-enyl]benzene-1,2-diol
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Formula C9H7D3O3
InChI InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+/i2D,4D,6D
InChIKey ZCKDCRKBURQZPT-MTDDTNFYSA-N
Molecular Weight 169.194 g/mol
SMILES Oc1c(c(\C(=C\CO)[D])cc(c1O)[D])[D]
SPLASH splash10-0gdl-1900000000-4a535a8199e3cbe23df2
Source of Spectrum F5-5-812-12--d3
Wiley ID 1733136