3-(4-Hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furanyl)propanoic acid

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Systematic / IUPAC Name: 3-(4-Hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furanyl)propanoic acid

ID: Reference7817

Other Names: 2-Furanpropanoic acid, 2,5-dihydro-4-hydroxy-5-oxo-3-phenyl-

Formula: C13H12O5

Spectral Data

3-(4-Hydroxy-5-oxo-3-phenyl-2,5-dihydro-2-furanyl)propanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 161
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/20/2018 5:53:40 AM
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Identificators

InChI InChI=1S/C13H12O5/c14-10(15)7-6-9-11(12(16)13(17)18-9)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,14,15)
InChI Key PPZVSYXNLXFYAD-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)C2=C(C(=O)OC2CCC(=O)O)O
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Other Names 2-Furanpropanoic acid, 2,5-dihydro-4-hydroxy-5-oxo-3-phenyl-

In Other Databases

ChemIDPlus 105364565
ChEMBL CHEMBL1544905
ChemSpider 113787
PubChem 128356