Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17) |
---|---|
SMILES | O=c1[nH]c2ccccc2nc1c1ccccc1 |
InChI Key | ZBBQSGVRBQKLLE-UHFFFAOYSA-N |
Molecular Formula | C14H10N2O |
Exact Mass | 222.242 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000630.2 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/ZBBQSGVRBQKLLE-UHFFFAOYSA-N/CHMO0000630.2 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:18:54.190590 |
MetadataModified | 2024-09-08T04:18:54.190595 |
MetadataPublished | 2024-07-31 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL1392897 | ChEMBL |
108113 | ChEBI |
DTXSID60323944 | EPA CompTox Dashboard |
56750 | BindingDB |
J466.201F | Nikkaji |
MUYQUU | CCDC |
919675 | eMolecules |
2176538 | eMolecules |
MCULE-4361151617 | Mcule |
346902 | PubChem |
20182089 | NMRShiftDB |
SCHEMBL1901480 | SureChEMBL |
ZINC000017945129 | ZINC |
LSM-19490 | LINCS |
1504-78-5 | ACToR |
The data in this table is sourced from UniChem at EBI. |