Molecule

(2-oxochromen-4-yl) benzoate

Chemical Information

Molecular Image

InChI	InChI=1S/C16H10O4/c17-15-10-14(12-8-4-5-9-13(12)19-15)20-16(18)11-6-2-1-3-7-11/h1-10H
SMILES	O=c1cc(OC(=O)c2ccccc2)c2c(o1)cccc2
InChI Key	XJVHOURXXNKDMD-UHFFFAOYSA-N
Exact Mass	266.248 g/mol

7 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)

1H--1H correlation spectroscopy (1H-1H COSY)

electrospray ionisation mass spectrometry (ESMS)

infrared absorption spectroscopy (IR)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol7479
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEMBL1714592	chembl
29468148	surechembl
794063	pubchem
DTXSID30355212	comptox
Molport-002-113-300	molport
The data in this table is sourced from UniChem at EBI.