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Phaseolinic acid

View entire compound with spectra: 1 MS (GC)

Phaseolinic acid
SpectraBase Compound ID LQD0bOBr7CY
InChI InChI=1S/C11H18O4/c1-3-4-5-6-8-9(10(12)13)7(2)11(14)15-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey VRNXAQRALVPTGJ-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 AjFylcSnCp7
Name Phaseolinic acid
Alternate Name(s) 3-Methyl-5-pentyl-2-oxo-tetrahydrofuran-4-carboxylic Acid 4-Methyl-5-oxo-2-pentyltetrahydro-3-furancarboxylic acid 4-Methyl-5-oxo-2-pentyl-3-oxolanecarboxylic acid 4-Methyl-5-oxo-2-pentyloxolane-3-carboxylic acid 4-Methyl-5-oxo-2-pentyl-tetrahydrofuran-3-carboxylic acid 4-Methyl-5-oxidanylidene-2-pentyl-oxolane-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-3-4-5-6-8-9(10(12)13)7(2)11(14)15-8/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey VRNXAQRALVPTGJ-UHFFFAOYSA-N
Molecular Weight 214.261 g/mol
SMILES OC(C1C(C(OC1CCCCC)=O)C)=O
SPLASH splash10-014m-8900000000-e1ff81f2a9ec77c506e9
Source of Spectrum X2-50-247-1
Wiley ID 1602210