Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H6F3NO/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4H,12H2
SMILES O=C(C(F)(F)F)c1ccc(cc1)N
InChI Key GHGLSQSKVJUUNZ-UHFFFAOYSA-N
Molecular Formula C8H6F3NO
Exact Mass 189.135 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GHGLSQSKVJUUNZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
License URL
Source https://www.chemotion-repository.net/inchikey/GHGLSQSKVJUUNZ-UHFFFAOYSA-N/NMR/13C/CDCl3/62.5
Version
Author Irina Protasova
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:28:03.783707
MetadataModified 2024-09-07T12:38:28.930325
MetadataPublished 2014-05-27
Related Molecule
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J228.986E Nikkaji
KT8SA3W67Z FDA SRS
DTXSID50178102 EPA CompTox Dashboard
ZINC000002547874 ZINC
916850 eMolecules
23516-79-2 ACToR
SCHEMBL1851024 SureChEMBL
CB3349043 ChemicalBook
90138 PubChem
MCULE-6845402211 Mcule
The data in this table is sourced from UniChem at EBI.