Dataset

infrared absorption spectroscopy (IR)

dataset for infrared absorption spectroscopy (IR)\n\n

Chemical Info

molecular Image
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.