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/C12H11N3O/c1-2-10(16-5-1)7-13-9-3-4-11-12(6-9)15-8-14-11/h1-6,8,13H,7H2,(H,14,15)
SMILES c1coc(c1)CNc1ccc2c(c1)[nH]cn2
InChI Key HIUMIDUFEJBHNY-UHFFFAOYSA-N
Molecular Formula C12H11N3O
Exact Mass 213.235 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HIUMIDUFEJBHNY-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/HIUMIDUFEJBHNY-UHFFFAOYSA-N/CHMO0000595
Version
Author Niklas Krappel
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:23:49.306352
MetadataModified 2024-09-08T01:23:49.306357
MetadataPublished 2023-07-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables