Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6,9-10H,1-2H3
SMILES CNc1ccccc1NC
InChI Key UMAPFAAAQBMYNJ-UHFFFAOYSA-N
Molecular Formula C8H12N2
Exact Mass 136.194 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UMAPFAAAQBMYNJ-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/UMAPFAAAQBMYNJ-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T03:22:41.245796
MetadataModified 2024-09-08T03:22:41.245802
MetadataPublished 2024-04-25
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
36772515 eMolecules
SCHEMBL653948 SureChEMBL
16898909 PubChem: Thomson Pharma
ZINC000071773610 ZINC
DTXSID00472602 EPA CompTox Dashboard
WIBVIQ CCDC
11788324 PubChem
J410.105G Nikkaji
The data in this table is sourced from UniChem at EBI.