Dataset
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
InChI | InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 |
---|---|
SMILES | Cc1ccc(cc1)C(=O)C |
InChI Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
Molecular Formula | C9H10O |
Exact Mass | 134.175 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GNKZMNRKLCTJAY-UHFFFAOYSA-N/CHMO0001150 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:24:43.187486 |
MetadataModified | 2024-09-08T04:24:43.187491 |
MetadataPublished | 2024-08-07 |
Field | Value |
---|---|
Measurement Technique | 1H–1H correlation spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL271871 | ChEMBL |
ZINC000001699969 | ZINC |
DTXSID9044374 | EPA CompTox Dashboard |
EVUZOK | CCDC |
254796 | Brenda |
J2.926B | Nikkaji |
HY-W012653 | MedChemExpress |
SCHEMBL55409 | SureChEMBL |
14818217 | PubChem: Thomson Pharma |
122-00-9 | ACToR |
AX66V0KX3Y | FDA SRS |
178626 | ChEBI |
PD158295 | ProbesDrugs |
8500 | PubChem |
MCULE-5591471266 | Mcule |
10024884 | NMRShiftDB |
HMDB0032608 | Human Metabolome Database |
76056 | Brenda |
7564 | Brenda |
CB5852945 | ChemicalBook |
527630 | eMolecules |
The data in this table is sourced from UniChem at EBI. |