Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3
SMILES Brc1ccc(cn1)C
InChI Key YWNJQQNBJQUKME-UHFFFAOYSA-N
Molecular Formula C6H6BrN
Exact Mass 172.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YWNJQQNBJQUKME-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/YWNJQQNBJQUKME-UHFFFAOYSA-N/CHMO0000604
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:33:20.835714
MetadataModified 2024-09-08T01:33:20.835719
MetadataPublished 2023-09-14
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
CB4296575 ChemicalBook
DTXSID50188600 EPA CompTox Dashboard
ZINC000000409192 ZINC
MCULE-2173362876 Mcule
GACXEQ CCDC
J236.669J Nikkaji
20027632 NMRShiftDB
564216 PubChem
16902402 PubChem: Thomson Pharma
493047 eMolecules
3510-66-5 ACToR
SCHEMBL189127 SureChEMBL
The data in this table is sourced from UniChem at EBI.