Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C7H8ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
SMILES NCc1ccc(cc1)Cl
InChI Key YMVFJGSXZNNUDW-UHFFFAOYSA-N
Molecular Formula C7H8ClN
Exact Mass 141.598 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YMVFJGSXZNNUDW-UHFFFAOYSA-N/CHMO0000604.1
License URL
Source https://www.chemotion-repository.net/inchikey/YMVFJGSXZNNUDW-UHFFFAOYSA-N/CHMO0000604.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:43:45.461567
MetadataModified 2024-09-08T01:43:45.461573
MetadataPublished 2023-10-10
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL107396 SureChEMBL
MCULE-4214697148 Mcule
20032751 NMRShiftDB
242957 Brenda
WIQNIV CCDC
J5.181K Nikkaji
15437286 PubChem: Thomson Pharma
66036 PubChem
104-86-9 ACToR
CB1270950 ChemicalBook
C2B PDBe
10325 Brenda
50325562 BindingDB
ZINC000000157594 ZINC
DTXSID7059307 EPA CompTox Dashboard
CHEMBL13218 ChEMBL
490712 eMolecules
The data in this table is sourced from UniChem at EBI.