Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C8H6ClN3/c9-7-8(10)12-6-4-2-1-3-5(6)11-7/h1-4H,(H2,10,12)
SMILES Nc1nc2ccccc2nc1Cl
InChI Key NOFJFBHOKPHILH-UHFFFAOYSA-N
Molecular Formula C8H6ClN3
Exact Mass 179.606 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000630.1
License URL
Source https://www.chemotion-repository.net/inchikey/NOFJFBHOKPHILH-UHFFFAOYSA-N/CHMO0000630.1
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:15:42.087907
MetadataModified 2024-09-07T20:41:53.059001
MetadataPublished 2021-11-12
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