Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C13H9BrN2/c14-11-6-7-13-15-12(9-16(13)8-11)10-4-2-1-3-5-10/h1-9H |
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SMILES | Brc1ccc2n(c1)cc(n2)c1ccccc1 |
InChI Key | JECUQJPFGTUNCJ-UHFFFAOYSA-N |
Molecular Formula | C13H9BrN2 |
Exact Mass | 273.128 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000470 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/JECUQJPFGTUNCJ-UHFFFAOYSA-N/CHMO0000470 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T08:34:15.849712 |
MetadataModified | 2024-09-08T00:33:43.203582 |
MetadataPublished | 2023-03-03 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |