Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C9H9ClO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,6H2,1H3 |
---|---|
SMILES | COC(=O)c1ccccc1CCl |
InChI Key | AAHZCIWUDPKSJP-UHFFFAOYSA-N |
Molecular Formula | C9H9ClO2 |
Exact Mass | 184.620 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/AAHZCIWUDPKSJP-UHFFFAOYSA-N/CHMO0000595 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AAHZCIWUDPKSJP-UHFFFAOYSA-N/CHMO0000595 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-05-03T02:10:22.559198 |
MetadataModified | 2025-05-03T02:11:03.559183 |
MetadataPublished | 2025-04-28 |
Related Molecule |
|
Field | Value |
---|---|
Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID70187650 | EPA CompTox Dashboard |
J33.620C | Nikkaji |
AQL5KKV3B3 | FDA SRS |
ZINC000005997560 | ZINC |
CB3453856 | ChemicalBook |
36729908 | eMolecules |
34040-62-5 | ACToR |
16069542 | PubChem: Thomson Pharma |
SCHEMBL2802347 | SureChEMBL |
118590 | PubChem |
The data in this table is sourced from UniChem at EBI. |