Dataset

57946-61-9.f19

Chemical Info

InChI	InChI=1S/C8H8F3NO/c9-8(10,11)5-13-7-3-1-6(12)2-4-7/h1-4H,5,12H2
SMILES	NC1=CC=C(OCC(F)(F)F)C=C1
InChI Key	OXFDNUZWKFKMSB-UHFFFAOYSA-N
Molecular Formula	C8H8F3NO
Exact Mass	191.150 g/mol

Data and Resources

• 57946-61-9.f19HTML
  Explore

  • More information
  • Go to resource

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p10.s67.d366
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D366
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:42:19.290448
MetadataModified	2024-09-23T09:35:16.280311
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	f19
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['19F'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H-BB/19F Z-GRD Z8615/0001 Temperature : 298 K magnetic field strength : 9.399944870620509 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 23.3823999793201 number of data points : 32768 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
SCHEMBL9682	SureChEMBL
871203	eMolecules
2777119	PubChem
MCULE-7759311440	Mcule
DTXSID30380382	EPA CompTox Dashboard
CB31500157	ChemicalBook
60004996	NMRShiftDB
J2.992.212H	Nikkaji
ZINC000002555218	ZINC
The data in this table is sourced from UniChem at EBI.