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HEXYLITACONIC-ACID
SpectraBase Compound ID Hd50WdynyGa
InChI InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey HKMDCNSGDQBQLI-UHFFFAOYSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErkZ3k8XiTf
Name 2-hexyl-3-methylensuccinic acid
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKey HKMDCNSGDQBQLI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np034061x
Molecular Weight 214.261 g/mol
Optical Rotation [a]D23 = -17.9 (c = 0.5, MeOH)
SMILES OC(C(C(C(O)=O)=C)CCCCCC)=O
SPLASH splash10-02vi-0900000000-ae5a1bd5210c7c4e30c0
Source of Spectrum G4-67-1062-4
Synonyms (-)-Hexylitaconic acid
Wiley ID 1884026