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/C11H13N3O2/c1-15-11(16-2)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6,11H,1-2H3,(H2,12,14)
SMILES COC(c1nc2ccccc2nc1N)OC
InChI Key XOSYBQIJXZRPNJ-UHFFFAOYSA-N
Molecular Formula C11H13N3O2
Exact Mass 219.240 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XOSYBQIJXZRPNJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/XOSYBQIJXZRPNJ-UHFFFAOYSA-N/CHMO0000593
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:22:53.559472
MetadataModified 2024-09-07T20:50:58.791896
MetadataPublished 2021-12-26
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables