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3-Carboxy-4-methyl-5-propyl-2-furapropionicacid dimethyl ester
SpectraBase Compound ID 3ZUYhHKHi0Y
InChI InChI=1S/C14H20O5/c1-5-6-10-9(2)13(14(16)18-4)11(19-10)7-8-12(15)17-3/h5-8H2,1-4H3
InChIKey MFHNAPOFQOZYAR-UHFFFAOYSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm5gqrwFjuq
Name 3-Carboxy-4-methyl-5-propyl-2-furapropionicacid dimethyl ester
CAS Registry Number 72719-10-9
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 268.131073739 u
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-5-6-10-9(2)13(14(16)18-4)11(19-10)7-8-12(15)17-3/h5-8H2,1-4H3
InChIKey MFHNAPOFQOZYAR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 268.309 g/mol
Nominal Mass 268 u
Quality 886
Retention Index 1910
SMILES C1(=C(OC(=C1C)CCC)CCC(OC)=O)C(OC)=O
SPLASH splash10-0a6s-3940000000-b4be59ab2be344fcc857
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_000469