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(S)-2-Phenyl-malonic acid isopropyl ester (E)-styryl ester
SpectraBase Compound ID GcnTxOzLOlz
InChI InChI=1S/C20H20O4/c1-15(2)24-20(22)18(17-11-7-4-8-12-17)19(21)23-14-13-16-9-5-3-6-10-16/h3-15,18H,1-2H3/b14-13+/t18-/m1/s1
InChIKey KGNJTYVUDWIRJO-KAUXGEHWSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fcg3HgTRrdi
Name (S)-2-Phenyl-malonic acid isopropyl ester (E)-styryl ester
Alternate Name(s) (-)-Isopropylidene-O-cinnamoylmandelate 1-isopropyl 3-[(E)-2-phenylethenyl](2S)-2-phenylpropanedioate
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Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-15(2)24-20(22)18(17-11-7-4-8-12-17)19(21)23-14-13-16-9-5-3-6-10-16/h3-15,18H,1-2H3/b14-13+/t18-/m1/s1
InChIKey KGNJTYVUDWIRJO-KAUXGEHWSA-N
Molecular Weight 324.376 g/mol
SMILES C([C@@](C(=O)O\C=C\c1ccccc1)(c1ccccc1)[H])(OC(C)C)=O
SPLASH splash10-001i-1900000000-744b5dade131e5d69f11
Source of Spectrum KC-0-1968-13
Wiley ID 784139