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Methyl 2,3-dideuterio-4-phenylpentanoate
SpectraBase Compound ID 7N9H21Gf8N6
InChI InChI=1S/C12H16O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/i8D,9D
InChIKey DERQHEGYXXCHMR-XETGXLELSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H142D2O2
Exact Mass 194.127583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeckVEXvTvc
Name Methyl 2,3-dideuterio-4-phenylpentanoate
Alternate Name(s) 2,3-Dideuterio-4-phenyl-valeric acid methyl ester 2,3-Dideuterio-4-phenylpentanoic acid methyl ester
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Formula C12H14D2O2
InChI InChI=1S/C12H16O2/c1-10(8-9-12(13)14-2)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3/i8D,9D
InChIKey DERQHEGYXXCHMR-XETGXLELSA-N
Molecular Weight 194.270 g/mol
SMILES C(C(C(C(C)c1ccccc1)[2D])[2D])(=O)OC
SPLASH splash10-0a4i-3900000000-514539d1ca6760376be0
Source of Spectrum J-68-1587-2
Wiley ID 1536526