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3,5-bis[Hydroxy(dideuterio)methyl]-1-methoxybenzene
SpectraBase Compound ID Hft3mOmGdQH
InChI InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3/i5D2,6D2
InChIKey QFWVNEBRTUUHIE-NZLXMSDQSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H8D4O3
Exact Mass 172.103751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IskN5z8Cio
Name 3,5-bis[Hydroxy(dideuterio)methyl]-1-methoxybenzene
Alternate Name(s) 5-Methoxybenzene-bis[(methane-.alpha.,.alpha.-d2)-ol]
Comments Less than 3 mono-isotopic peaks
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Formula C9H8D4O3
InChI InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3/i5D2,6D2
InChIKey QFWVNEBRTUUHIE-NZLXMSDQSA-N
Molecular Weight 172.216 g/mol
SMILES OC(c1cc(cc(C(O)([D])[D])c1)OC)([D])[D]
SPLASH splash10-00dr-0900000000-bb0369896b2d4286c6e6
Source of Spectrum C-130-1590-8
Wiley ID 1701962