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/C15H15F2N5/c1-9(2)22-8-21-13-14(19-7-20-15(13)22)18-6-10-11(16)4-3-5-12(10)17/h3-5,7-9H,6H2,1-2H3,(H,18,19,20)
SMILES CC(n1cnc2c1ncnc2NCc1c(F)cccc1F)C
InChI Key SJMISYYGKQCAKA-UHFFFAOYSA-N
Molecular Formula C15H15F2N5
Exact Mass 303.310 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/SJMISYYGKQCAKA-UHFFFAOYSA-N/NMR/13C/CDCl3/75
License URL
Source https://www.chemotion-repository.net/inchikey/SJMISYYGKQCAKA-UHFFFAOYSA-N/NMR/13C/CDCl3/75
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:53:08.503064
MetadataModified 2024-09-07T13:15:44.985575
MetadataPublished 2014-05-27
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
73427478 PubChem
The data in this table is sourced from UniChem at EBI.