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4-(1',1'-Bis(ethoxycarbonyl)ethyl)-4-penten-2-one
SpectraBase Compound ID Ks1QozaTIKe
InChI InChI=1S/C13H20O5/c1-6-17-11(15)13(5,12(16)18-7-2)9(3)8-10(4)14/h3,6-8H2,1-2,4-5H3
InChIKey YZPNBTJESCOCJG-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C13H20O5
Exact Mass 256.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9chTzBVPIAI
Name 4-(1',1'-Bis(ethoxycarbonyl)ethyl)-4-penten-2-one
Alternate Name(s) diethyl 2-methyl-2-[1-(2-oxopropyl)vinyl]malonate
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O5
InChI InChI=1S/C13H20O5/c1-6-17-11(15)13(5,12(16)18-7-2)9(3)8-10(4)14/h3,6-8H2,1-2,4-5H3
InChIKey YZPNBTJESCOCJG-UHFFFAOYSA-N
Molecular Weight 256.298 g/mol
SMILES C(C(CC(=O)C)=C)(C(=O)OCC)(C(=O)OCC)C
SPLASH splash10-0006-9000000000-a5a9efa67aea0c3ace60
Source of Spectrum KC-61-4161-5
Wiley ID 1628864