Dataset

correlation spectroscopy (COSY)

Chemical Info

InChI	InChI=1S/C9H9FO3/c1-9(13,8(11)12)6-2-4-7(10)5-3-6/h2-5,13H,1H3,(H,11,12)
SMILES	OC(=O)C(c1ccc(cc1)F)(O)C
InChI Key	ZZCVUIWOTANGSM-UHFFFAOYSA-N
Molecular Formula	C9H9FO3
Exact Mass	184.164 g/mol

Data and Resources

• correlation spectroscopy (COSY)HTML
  Explore

  • More information
  • Go to resource

• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZZCVUIWOTANGSM-UHFFFAOYSA-N/CHMO0000599
License URL
Source	https://www.chemotion-repository.net/inchikey/ZZCVUIWOTANGSM-UHFFFAOYSA-N/CHMO0000599
Version
Author	Elena Foitzik
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:03:21.057527
MetadataModified	2025-01-29T15:57:08.325982
MetadataPublished	2024-10-08
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : cosygpppqf number of scans : 1 scans title : X25294-DMSO date : 20241003 starting time : 21.42 h instrument : spect label : EF-1160 id : 327580 Solvent : DMSO

Data-Source Molecule ID	Data-Source
10419861	PubChem
CB02105721	ChemicalBook
DTXSID40439557	EPA CompTox Dashboard
SCHEMBL2769055	SureChEMBL
15438025	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.