Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C9H6N2O/c12-6-7-5-10-8-3-1-2-4-9(8)11-7/h1-6H |
---|---|
SMILES | O=Cc1cnc2c(n1)cccc2 |
InChI Key | UJEHWLFUEQHEEZ-UHFFFAOYSA-N |
Molecular Formula | C9H6N2O |
Exact Mass | 158.157 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000630.1 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/UJEHWLFUEQHEEZ-UHFFFAOYSA-N/CHMO0000630.1 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:01:49.669057 |
MetadataModified | 2024-09-08T04:01:49.669062 |
MetadataPublished | 2024-07-05 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CB5740969 | ChemicalBook |
DTXSID50344042 | EPA CompTox Dashboard |
1593-08-4 | ACToR |
594088 | PubChem |
SCHEMBL97699 | SureChEMBL |
16544937 | PubChem: Thomson Pharma |
724662 | eMolecules |
ZINC000000241385 | ZINC |
VOBMOR | CCDC |
MCULE-2987536076 | Mcule |
J1.878.872A | Nikkaji |
The data in this table is sourced from UniChem at EBI. |