Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\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/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/UDHAWRUAECEBHC-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:26:14.053141
MetadataModified 2024-09-08T04:26:14.053148
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL158 SureChEMBL
624-31-7 ACToR
14773479 PubChem: Thomson Pharma
12207 PubChem
10008683 NMRShiftDB
G75KCN1AM8 FDA SRS
MCULE-7374554905 Mcule
J43.527I Nikkaji
ITOLEN CCDC
CB0277912 ChemicalBook
CB3427714 ChemicalBook
ZINC000001003750 ZINC
DTXSID4060785 EPA CompTox Dashboard
XQM PDBe
488322 eMolecules
The data in this table is sourced from UniChem at EBI.