Molecule

2-bromo-1-(4-fluoro-3-hydroxyphenyl)ethanone

Chemical Information

Molecular Image

InChI	InChI=1S/C8H6BrFO2/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,11H,4H2
SMILES	BrCC(=O)c1ccc(c(c1)O)F
InChI Key	XKYNUWXCDDWJFK-UHFFFAOYSA-N
Exact Mass	233.034 g/mol

10 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

19F nuclear magnetic resonance spectroscopy (19F NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

correlation spectroscopy (COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

electrospray ionisation quadrupole detection (ESI Q Trap)

heteronuclear multiple bond coherence (HMBC)

heteronuclear single quantum coherence (HSQC)

infrared absorption spectroscopy (IR)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol3578
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
126970439	pubchem
The data in this table is sourced from UniChem at EBI.