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Dimethyl 2-[(2R,E)-1'-(4"-methylphenyl)-3'-phenylprop-2'-enyl]propanedioate
SpectraBase Compound ID C9fvi7IDP9r
InChI InChI=1S/C21H22O4/c1-15-9-12-17(13-10-15)18(14-11-16-7-5-4-6-8-16)19(20(22)24-2)21(23)25-3/h4-14,18-19H,1-3H3/b14-11+/t18-/m1/s1
InChIKey OATQTAFKXFGJTK-GPZRYRNASA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMK0rrJjHmP
Name Dimethyl 2-[(2R,E)-1'-(4"-methylphenyl)-3'-phenylprop-2'-enyl]propanedioate
Alternate Name(s) Dimethyl 2-[(1S,2E)-1-(4-methylphenyl)-3-phenyl-2-propenyl]malonate Dimethyl 2-[(2R,E)-1'-(4''-methylphenyl)-3'-phenylprop-2'-enyl]propanedioate
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Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-15-9-12-17(13-10-15)18(14-11-16-7-5-4-6-8-16)19(20(22)24-2)21(23)25-3/h4-14,18-19H,1-3H3/b14-11+/t18-/m1/s1
InChIKey OATQTAFKXFGJTK-GPZRYRNASA-N
Molecular Weight 338.403 g/mol
SMILES C([C@](\C=C\c1ccccc1)(c1ccc(cc1)C)[H])(C(=O)OC)C(=O)OC
SPLASH splash10-066r-0690000000-561a4152e5a704d80a98
Source of Spectrum H-78-282-29
Wiley ID 1333999