Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
SMILES Brc1cccc(n1)I
InChI Key KJOQMWRTNVBXEV-UHFFFAOYSA-N
Molecular Formula C5H3BrIN
Exact Mass 283.892 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/KJOQMWRTNVBXEV-UHFFFAOYSA-N/CHMO0000604
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-04T13:29:53.158045
MetadataModified 2025-02-05T14:33:05.921264
MetadataPublished 2025-01-27
Related Molecule
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
11473853 eMolecules
234111-08-1 ACToR
SCHEMBL2934396 SureChEMBL
16401205 PubChem: Thomson Pharma
11312130 PubChem
20233919 NMRShiftDB
ZINC000016124076 ZINC
J1.108.539C Nikkaji
CB0286736 ChemicalBook
DTXSID60462044 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.