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2-Phenacylidenemalonic acid dimethyl ester
SpectraBase Compound ID LbE5BM7hv06
InChI InChI=1S/C13H12O5/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey ZVKCSFYFUNORQQ-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGOIWwiBO10
Name 2-Phenacylidenemalonic acid dimethyl ester
Alternate Name(s) 2-Phenacylidenepropanedioic acid dimethyl ester Dimethyl 2-phenacylidenepropanedioate
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Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey ZVKCSFYFUNORQQ-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES C(=CC(=O)c1ccccc1)(C(=O)OC)C(=O)OC
SPLASH splash10-0a6r-4920000000-ed8ecc6ddd62db2d7ac1
Source of Spectrum J-60-1902-4
Wiley ID 1250882