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/C13H8F3N3OS/c14-13(15,16)8-4-1-3-7-10(8)18-19-11(7)17-12(20)9-5-2-6-21-9/h1-6H,(H2,17,18,19,20)
SMILES O=C(c1cccs1)Nc1n[nH]c2c1cccc2C(F)(F)F
InChI Key MJZYGRRNSQNONW-UHFFFAOYSA-N
Molecular Formula C13H8F3N3OS
Exact Mass 311.282 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MJZYGRRNSQNONW-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/MJZYGRRNSQNONW-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Ana María García
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:33:13.667996
MetadataModified 2024-09-07T14:06:14.718175
MetadataPublished 2015-06-09
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
91808065 PubChem
The data in this table is sourced from UniChem at EBI.