Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C8H7ClO/c1-6-2-3-7(5-10)4-8(6)9/h2-5H,1H3 |
---|---|
SMILES | O=Cc1ccc(c(c1)Cl)C |
InChI Key | OJFQNFVCICBYQC-UHFFFAOYSA-N |
Molecular Formula | C8H7ClO |
Exact Mass | 154.594 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/OJFQNFVCICBYQC-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OJFQNFVCICBYQC-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:02:35.672120 |
MetadataModified | 2024-09-08T04:02:35.672125 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID80497555 | EPA CompTox Dashboard |
CB9504910 | ChemicalBook |
ZINC000012956511 | ZINC |
SCHEMBL980697 | SureChEMBL |
12423085 | PubChem |
521747 | eMolecules |
The data in this table is sourced from UniChem at EBI. |