Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C13H11F2N5O/c1-8(21)20-7-10-6-19(17-13(10)16-18-20)5-9-2-11(14)4-12(15)3-9/h2-4,6H,5,7H2,1H3
SMILES Fc1cc(cc(c1)F)Cn1cc2c(n1)N=NN(C2)C(=O)C
InChI Key CEFFSZUXPZAWPN-UHFFFAOYSA-N
Molecular Formula C13H11F2N5O
Exact Mass 291.256 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CEFFSZUXPZAWPN-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:47:22.845510
MetadataModified 2024-09-07T20:05:02.313460
MetadataPublished 2021-07-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155928544 PubChem
The data in this table is sourced from UniChem at EBI.