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
Related Molecule
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
66036 PubChem
15437286 PubChem: Thomson Pharma
104-86-9 ACToR
490712 eMolecules
SCHEMBL107396 SureChEMBL
20032751 NMRShiftDB
MCULE-4214697148 Mcule
10325 Brenda
CB1270950 ChemicalBook
C2B PDBe
DTXSID7059307 EPA CompTox Dashboard
ZINC000000157594 ZINC
50325562 BindingDB
242957 Brenda
WIQNIV CCDC
J5.181K Nikkaji
CHEMBL13218 ChEMBL
The data in this table is sourced from UniChem at EBI.