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(2S)-2-(phenylmethyl)butanedioic acid dimethyl ester
SpectraBase Compound ID HxIbez13OgW
InChI InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKey RWYYXMPWROIWLA-NSHDSACASA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tcxiVdwl4A
Name (2S)-2-(phenylmethyl)butanedioic acid dimethyl ester
Alternate Name(s) (2S)-2-benzylsuccinic acid dimethyl ester Dimethyl (2S)-2-(phenylmethyl)butanedioate Dimethyl (2S)-2-benzylbutanedioate
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3/t11-/m0/s1
InChIKey RWYYXMPWROIWLA-NSHDSACASA-N
Molecular Weight 236.267 g/mol
SMILES C([C@](CC(=O)OC)(Cc1ccccc1)[H])(=O)OC
SPLASH splash10-00ke-2910000000-2adeab36f7a39979babe
Source of Spectrum AJ-74-958-2
Wiley ID 1576769