Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C8H5I/c1-2-7-3-5-8(9)6-4-7/h1,3-6H
SMILES C#Cc1ccc(cc1)I
InChI Key MYGXITKLGQBZBV-UHFFFAOYSA-N
Exact Mass 228.030 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MYGXITKLGQBZBV-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/MYGXITKLGQBZBV-UHFFFAOYSA-N/CHMO0001146
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-22
Related Molecule
Field Value
Measurement Technique CHMO:0001146
Measurement Variables
Data-Source Molecule ID Data-Source
3293990 surechembl
12160833 pubchem
NECNIS CCDC
Molport-023-332-010 molport
The data in this table is sourced from UniChem at EBI.