Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H12N4/c1-11-17(21-15-9-5-4-8-14(15)19-11)16-10-18-12-6-2-3-7-13(12)20-16/h2-10H,1H3
SMILES Cc1nc2ccccc2nc1c1cnc2c(n1)cccc2
InChI Key LTHMVEAXRSOOTA-UHFFFAOYSA-N
Molecular Formula C17H12N4
Exact Mass 272.304 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTHMVEAXRSOOTA-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LTHMVEAXRSOOTA-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:19:36.194939
MetadataModified 2024-09-08T04:19:36.194944
MetadataPublished 2024-07-31
Field Value
Measurement Technique infrared absorption spectroscopy
Measurement Variables