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/C11H11N3O/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12-14/h2-8H,1H3,(H,13,15)
SMILES CC(=O)Nc1cccc(c1)n1cccn1
InChI Key PATDCDMTBXBBGP-UHFFFAOYSA-N
Molecular Formula C11H11N3O
Exact Mass 201.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PATDCDMTBXBBGP-UHFFFAOYSA-N/1HNMR
License URL
Source https://www.chemotion-repository.net/inchikey/PATDCDMTBXBBGP-UHFFFAOYSA-N/1HNMR
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T00:40:17.647796
MetadataModified 2024-09-07T14:29:38.478563
MetadataPublished 2018-06-25
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
40163603 PubChem
MCULE-6376740181 Mcule
The data in this table is sourced from UniChem at EBI.