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Propanedioic acid, (1-oxo-2,3-diphenyl-2-propenyl)-, dimethyl ester
SpectraBase Compound ID 1H4sSCxnPw
InChI InChI=1S/C20H18O5/c1-24-19(22)17(20(23)25-2)18(21)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13,17H,1-2H3/b16-13+
InChIKey NCPMCBUWJUPYAZ-DTQAZKPQSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8J5lEQUwQM
Name Propanedioic acid, (1-oxo-2,3-diphenyl-2-propenyl)-, dimethyl ester
Alternate Name(s) Dimethyl 2-[(2E)-2,3-diphenyl-2-propenoyl]malonate Methyl ester of 2-methoxycarbonyl-3-oxo-4,5-diphenyl-4-pentenoic acid
CAS Registry Number 69425-28-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-24-19(22)17(20(23)25-2)18(21)16(15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-13,17H,1-2H3/b16-13+
InChIKey NCPMCBUWJUPYAZ-DTQAZKPQSA-N
Molecular Weight 338.359 g/mol
SMILES C(\C(=C\c1ccccc1)c1ccccc1)(C(C(=O)OC)C(=O)OC)=O
SPLASH splash10-004i-0942000000-78ac46c74a23f4cf9f35
Source of Spectrum H-61-3026-0
Wiley ID 1333829