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Propanedioic acid, (1,4-dimethyl-2,3-pentadienyl)-, dimethyl ester
SpectraBase Compound ID 4OABIb0SxGa
InChI InChI=1S/C12H18O4/c1-8(2)6-7-9(3)10(11(13)15-4)12(14)16-5/h7,9-10H,1-5H3
InChIKey NIPDTJRNUIBITG-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6niLpdHTpaM
Name Propanedioic acid, (1,4-dimethyl-2,3-pentadienyl)-, dimethyl ester
Alternate Name(s) Dimethyl 2-(1,4-dimethyl-2,3-pentadienyl)malonate Dimethyl 2-(5-methylhexa-3,4-dien-2-yl)-propanedioate Methyl 3,6-dimethyl-2-methoxycarbonylhepta-4,5-dienoate
CAS Registry Number 114707-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8(2)6-7-9(3)10(11(13)15-4)12(14)16-5/h7,9-10H,1-5H3
InChIKey NIPDTJRNUIBITG-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OC)(C(=O)OC)C(C=C=C(C)C)C
SPLASH splash10-002f-9320000000-ec7dbcedbad8a56df2fd
Source of Spectrum F-43-3450-7
Wiley ID 1227282