Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C19H17N3/c1-13(2)18-19-20-12-17(14-8-4-3-5-9-14)22(19)16-11-7-6-10-15(16)21-18/h3-13H,1-2H3
SMILES CC(c1nc2ccccc2n2c1ncc2c1ccccc1)C
InChI Key BHEXWVNDDWQKFM-UHFFFAOYSA-N
Molecular Formula C19H17N3
Exact Mass 287.358 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/BHEXWVNDDWQKFM-UHFFFAOYSA-N/CHMO0000630
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-03-15T03:12:03.861273
MetadataModified 2025-03-16T03:11:09.212942
MetadataPublished 2025-03-14
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