Molecule

3-hydroxy-5-methoxy-5-phenacyl-4-phenylfuran-2-one

Chemical Information

Molecular Image

InChI	InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
SMILES	COC1(CC(=O)C2=CC=CC=C2)OC(=O)C(O)=C1C1=CC=CC=C1
InChI Key	ZSQDINYGPVLTCM-UHFFFAOYSA-N
Exact Mass	324.300 g/mol

14 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Allantofuranone (1155308-25-0)[13c.dx]

Allantofuranone (1155308-25-0)[1h.dx]

Allantofuranone (1155308-25-0)[cosy.dx]

Allantofuranone (1155308-25-0)[hmbc.dx]

Allantofuranone (1155308-25-0)[hsqc.dx]

attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)

double-quantum-filtered correlation spectroscopy (DQF-COSY)

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

nuclear magnetic resonance spectroscopy (NMR)

two-dimensional nuclear Overhauser enhancement spectroscopy (2D NOESY)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7760
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
42604569	pubchem
The data in this table is sourced from UniChem at EBI.