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2-Phenacylmalonic acid dimethyl ester
SpectraBase Compound ID JuLEybpzlIL
InChI InChI=1S/C13H14O5/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey AZRNTAFPHSAULU-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUUWpOjqBvx
Name 2-Phenacylmalonic acid dimethyl ester
Alternate Name(s) 2-Phenacylpropanedioic acid dimethyl ester Dimethyl 2-phenacylpropanedioate
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Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-17-12(15)10(13(16)18-2)8-11(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey AZRNTAFPHSAULU-UHFFFAOYSA-N
Molecular Weight 250.250 g/mol
SMILES C(C(C(=O)OC)CC(c1ccccc1)=O)(=O)OC
SPLASH splash10-0a4i-0910000000-37f3ebdcbb72377be941
Source of Spectrum KC-0-1882-3
Wiley ID 784229