Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C6H6BrN/c1-5-3-2-4-8-6(5)7/h2-4H,1H3
SMILES Cc1cccnc1Br
InChI Key PZSISEFPCYMBDL-UHFFFAOYSA-N
Molecular Formula C6H6BrN
Exact Mass 172.023 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000601.1
License URL
Source https://www.chemotion-repository.net/inchikey/PZSISEFPCYMBDL-UHFFFAOYSA-N/CHMO0000601.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:43:09.821777
MetadataModified 2024-09-08T01:43:09.821781
MetadataPublished 2023-10-10
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
509110 eMolecules
SCHEMBL9573 SureChEMBL
16093707 PubChem: Thomson Pharma
3430-17-9 ACToR
DTXSID80277793 EPA CompTox Dashboard
ZINC000000152336 ZINC
CB9122668 ChemicalBook
220832 PubChem
J708.627J Nikkaji
YIKQUG CCDC
20209055 NMRShiftDB
MCULE-1253867272 Mcule
The data in this table is sourced from UniChem at EBI.