Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C10H12O2/c1-3-12-10(11)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 |
---|---|
SMILES | CCOC(=O)c1ccccc1C |
InChI Key | SOUAXOGPALPTTC-UHFFFAOYSA-N |
Exact Mass | 164.201 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/SOUAXOGPALPTTC-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SOUAXOGPALPTTC-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Grace Hunt |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:25:27.562950 |
MetadataModified | 2024-09-23T09:26:04.845533 |
MetadataPublished | 2024-08-07 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1882976 | ChEMBL |
492155 | eMolecules |
87-24-1 | ACToR |
SCHEMBL1569293 | SureChEMBL |
87223903 | PubChem: Thomson Pharma |
66598 | PubChem |
J47.822I | Nikkaji |
MCULE-7559082034 | Mcule |
384Q41M534 | FDA SRS |
20200064 | NMRShiftDB |
CB4293190 | ChemicalBook |
ZINC000000391964 | ZINC |
DTXSID4040711 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |