Dataset

heteronuclear multiple bond coherence (HMBC)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H8BrFN2/c14-9-5-6-13-16-12(8-17(13)7-9)10-3-1-2-4-11(10)15/h1-8H
SMILES Brc1ccc2n(c1)cc(n2)c1ccccc1F
InChI Key WIERVJWCSZUKSW-UHFFFAOYSA-N
Molecular Formula C13H8BrFN2
Exact Mass 291.118 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/WIERVJWCSZUKSW-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T08:31:49.517332
MetadataModified 2024-09-08T00:31:23.475464
MetadataPublished 2023-03-03
Field Value
Measurement Technique heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
78909046 PubChem
ZINC000076535434 ZINC
The data in this table is sourced from UniChem at EBI.