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2,3-dideuterio-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid
SpectraBase Compound ID Hf5On692UMV
InChI InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)/i3D,5D
InChIKey BOLQJTPHPSDZHR-XBTCESIDSA-N
Mol Weight 198.21 g/mol
Molecular Formula C10H102D2O4
Exact Mass 198.086112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6C9bRmDHFjV
Name 2,3-dideuterio-3-(3-methoxy-4-oxidanyl-phenyl)propanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C10H10D2O4
InChI InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13)/i3D,5D
InChIKey BOLQJTPHPSDZHR-XBTCESIDSA-N
Molecular Weight 198.214 g/mol
SMILES Oc1c(cc(C(C(C(=O)O)[2D])[2D])cc1)OC
SPLASH splash10-000i-0900000000-163f25e219f9a966eaef
Source of Spectrum QF-8-4496-2
Synonyms 2,3-dideuterio-3-(4-hydroxy-3-methoxy-phenyl)propanoic acid 2,3-dideuterio-3-(4-hydroxy-3-methoxyphenyl)propanoic acid
Wiley ID 1558046