Dataset
infrared absorption spectroscopy (IR)
Chemical Info
InChI | InChI=1S/C16H10N4/c1-3-7-13-11(5-1)17-9-15(19-13)16-10-18-12-6-2-4-8-14(12)20-16/h1-10H |
---|---|
SMILES | c1ccc2c(c1)nc(cn2)c1cnc2c(n1)cccc2 |
InChI Key | DSYFNRZHDYNTTD-UHFFFAOYSA-N |
Molecular Formula | C16H10N4 |
Exact Mass | 258.277 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000630 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000630 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T04:19:15.591780 |
MetadataModified | 2024-09-08T04:19:15.591785 |
MetadataPublished | 2024-07-31 |
Field | Value |
---|---|
Measurement Technique | infrared absorption spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL3076524 | SureChEMBL |
27739-37-3 | ACToR |
16547031 | PubChem: Thomson Pharma |
20168266 | NMRShiftDB |
323100 | PubChem |
ZINC000001564233 | ZINC |
J664.826F | Nikkaji |
FOCZED | CCDC |
The data in this table is sourced from UniChem at EBI. |