Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C9H8N2/c1-7-6-10-8-4-2-3-5-9(8)11-7/h2-6H,1H3 |
---|---|
SMILES | Cc1cnc2c(n1)cccc2 |
InChI Key | ALHUXMDEZNLFTA-UHFFFAOYSA-N |
Molecular Formula | C9H8N2 |
Exact Mass | 144.173 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/ALHUXMDEZNLFTA-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ALHUXMDEZNLFTA-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:02:22.292188 |
MetadataModified | 2024-09-08T04:02:22.292193 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID50222831 | EPA CompTox Dashboard |
ZINC000000391208 | ZINC |
HMDB0303877 | Human Metabolome Database |
132812 | ChEBI |
J84.970G | Nikkaji |
CHEMBL3287983 | ChEMBL |
CB9215276 | ChemicalBook |
23686 | PubChem |
MCULE-2015871894 | Mcule |
20097184 | NMRShiftDB |
528421 | eMolecules |
SCHEMBL28571 | SureChEMBL |
03VU31MV6J | FDA SRS |
7251-61-8 | ACToR |
14747812 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |