Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C12H9F3N2/c13-12(14,15)9-3-5-10(6-4-9)17-8-11-2-1-7-16-11/h1-8,16H/b17-8+
SMILES	FC(c1ccc(cc1)/N=C/c1ccc[nH]1)(F)F
InChI Key	DCMIXAPLCVYQTQ-CAOOACKPSA-N
Exact Mass	238.208 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy (13C NMR)HTML
  Explore

  • More information
  • Go to resource

• 13c-nuclear-magneti...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DCMIXAPLCVYQTQ-CAOOACKPSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/DCMIXAPLCVYQTQ-CAOOACKPSA-N/CHMO0000595
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:18:48.945531
MetadataModified	2024-09-23T09:22:54.109043
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Dec15-2022 Date : 20221215 Start time : 21.03 h Instrument : Avance NEO Label : VF-140 ID : 106344 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
SCHEMBL14081314	SureChEMBL
J1.963.015C	Nikkaji
The data in this table is sourced from UniChem at EBI.