Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
SMILES Cc1ccc(cc1)I
InChI Key UDHAWRUAECEBHC-UHFFFAOYSA-N
Molecular Formula C7H7I
Exact Mass 218.035 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UDHAWRUAECEBHC-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/UDHAWRUAECEBHC-UHFFFAOYSA-N/CHMO0001146
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:26:16.319727
MetadataModified 2025-02-04T13:22:45.678966
MetadataPublished 2024-08-07
Related Molecule
Field Value
Measurement Technique 1H–13C heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
J43.527I Nikkaji
DTXSID4060785 EPA CompTox Dashboard
ZINC000001003750 ZINC
ITOLEN CCDC
CB0277912 ChemicalBook
CB3427714 ChemicalBook
10008683 NMRShiftDB
G75KCN1AM8 FDA SRS
MCULE-7374554905 Mcule
SCHEMBL158 SureChEMBL
624-31-7 ACToR
14773479 PubChem: Thomson Pharma
12207 PubChem
488322 eMolecules
XQM PDBe
The data in this table is sourced from UniChem at EBI.