Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C7H7IO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 |
---|---|
SMILES | COc1ccc(cc1)I |
InChI Key | SYSZENVIJHPFNL-UHFFFAOYSA-N |
Molecular Formula | C7H7IO |
Exact Mass | 234.034 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SYSZENVIJHPFNL-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:05:03.142352 |
MetadataModified | 2024-09-08T04:05:03.142358 |
MetadataPublished | 2024-07-08 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
523220 | eMolecules |
10025054 | NMRShiftDB |
CAJWIU | CCDC |
J93.739H | Nikkaji |
95428-88-9 | ACToR |
SCHEMBL24567 | SureChEMBL |
69676 | PubChem |
696-62-8 | ACToR |
14794692 | PubChem: Thomson Pharma |
MCULE-1365359457 | Mcule |
DTXSID7061015 | EPA CompTox Dashboard |
174192 | ChEBI |
ZINC000000391101 | ZINC |
HMDB0062252 | Human Metabolome Database |
CB6450614 | ChemicalBook |
The data in this table is sourced from UniChem at EBI. |