Dataset

infrared absorption spectroscopy (IR)

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

Chemical Info

molecular Image
InChI InChI=1S/C12H8BrN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
SMILES Brc1ccc2c(c1)c1ccccc1[nH]2
InChI Key LTBWKAYPXIIVPC-UHFFFAOYSA-N
Molecular Formula C12H8BrN
Exact Mass 246.103 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LTBWKAYPXIIVPC-UHFFFAOYSA-N/CHMO0000630
License URL
Source https://www.chemotion-repository.net/inchikey/LTBWKAYPXIIVPC-UHFFFAOYSA-N/CHMO0000630
Version
Author Henrik Tappert
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-02-25T11:56:38.638970
MetadataModified 2025-02-25T12:03:27.988565
MetadataPublished
Related Molecule