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2-(2-methylhepta-2,3-dienyl)malonic acid dimethyl ester
SpectraBase Compound ID 5NICC47gijr
InChI InChI=1S/C13H20O4/c1-5-6-7-8-10(2)9-11(12(14)16-3)13(15)17-4/h7,11H,5-6,9H2,1-4H3
InChIKey NGNHEIFAOBSLLC-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFF2L6mVdCZ
Name 2-(2-methylhepta-2,3-dienyl)malonic acid dimethyl ester
Alternate Name(s) 2-(2-methylhepta-2,3-dienyl)propanedioic acid dimethyl ester dimethyl 2-(2-methylhepta-2,3-dienyl)propanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-5-6-7-8-10(2)9-11(12(14)16-3)13(15)17-4/h7,11H,5-6,9H2,1-4H3
InChIKey NGNHEIFAOBSLLC-UHFFFAOYSA-N
Molecular Weight 240.299 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CC(=C=CCCC)C
SPLASH splash10-0006-9020000000-fe8891e86e4bbd241f6a
Source of Spectrum J-67-2842-1
Wiley ID 1569626