Dataset
Azulene.hsqc
Chemical Info
InChI | InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H |
---|---|
SMILES | C1=CC=C2C=CC=C2C=C1 |
InChI Key | CUFNKYGDVFVPHO-UHFFFAOYSA-N |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p73.s601.d3203 |
License URL | https://creativecommons.org/licenses/by-sa/4.0/legalcode |
Source | https://nmrxiv.org/D3203 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2025-02-03T15:18:08.619394 |
MetadataModified | 2025-02-03T15:18:08.619401 |
MetadataPublished | 2024-06-24 15:27:59 |
Related Molecule |
Field | Value |
---|---|
Measurement Technique | heteronuclear single quantum coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
15170652 | PubChem: Thomson Pharma |
275-51-4 | ACToR |
PD157986 | ProbesDrugs |
82R6M9MGLP | FDA SRS |
479187 | eMolecules |
CB2440183 | ChemicalBook |
105502 | Brenda |
MTBLC31249 | Metabolights |
9231 | PubChem |
10016513 | NMRShiftDB |
MCULE-9439882903 | Mcule |
SCHEMBL8463 | SureChEMBL |
CHEMBL3272628 | ChEMBL |
J39.308H | Nikkaji |
HY-B0055 | MedChemExpress |
AZLENE | CCDC |
HMDB0248822 | Human Metabolome Database |
ZINC000001570209 | ZINC |
DTXSID2059770 | EPA CompTox Dashboard |
31249 | ChEBI |
C13392 | KEGG Ligand |
The data in this table is sourced from UniChem at EBI. |