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Propanedioic acid, (4-cyclopropylidenebutyl)-, dimethyl ester
SpectraBase Compound ID EFvenStIKqI
InChI InChI=1S/C12H18O4/c1-15-11(13)10(12(14)16-2)6-4-3-5-9-7-8-9/h5,10H,3-4,6-8H2,1-2H3
InChIKey IFXRFORTRWKYIU-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 AmY6V5Js9KB
Name Propanedioic acid, (4-cyclopropylidenebutyl)-, dimethyl ester
Alternate Name(s) Dimethyl 2-(4-cyclopropylidenebutyl)malonate Methyl 6-cyclopropylidene-2-methoxycarbonylhexanoate
CAS Registry Number 112519-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-15-11(13)10(12(14)16-2)6-4-3-5-9-7-8-9/h5,10H,3-4,6-8H2,1-2H3
InChIKey IFXRFORTRWKYIU-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES C(C(=O)OC)(C(=O)OC)CCCC=C1CC1
SPLASH splash10-054o-9100000000-301d9f560355a1131cd6
Source of Spectrum F-44-5828-10
Wiley ID 1227292