Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H |
---|---|
SMILES | O=Cc1cc(O)cc(c1)O |
InChI Key | HAQLHRYUDBKTJG-UHFFFAOYSA-N |
Molecular Formula | C7H6O3 |
Exact Mass | 138.121 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/HAQLHRYUDBKTJG-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Sylvia Vanderheiden-Schroen |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T19:52:32.527592 |
MetadataModified | 2024-09-08T04:00:58.931601 |
MetadataPublished | 2024-07-04 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
94365 | PubChem |
14747740 | PubChem: Thomson Pharma |
PD131130 | ProbesDrugs |
26153-38-8 | ACToR |
SCHEMBL37131 | SureChEMBL |
J20.078F | Nikkaji |
20035551 | NMRShiftDB |
MCULE-3087026244 | Mcule |
DTXSID60180776 | EPA CompTox Dashboard |
ZINC000002566024 | ZINC |
CB6443157 | ChemicalBook |
50204 | ChEBI |
501807 | eMolecules |
The data in this table is sourced from UniChem at EBI. |