Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
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. |