Dataset
correlation spectroscopy (COSY)
Chemical Info
InChI | InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3 |
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SMILES | Brc1ccc(cn1)C |
InChI Key | YWNJQQNBJQUKME-UHFFFAOYSA-N |
Molecular Formula | C6H6BrN |
Exact Mass | 172.023 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YWNJQQNBJQUKME-UHFFFAOYSA-N/CHMO0000599 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YWNJQQNBJQUKME-UHFFFAOYSA-N/CHMO0000599 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:33:22.885880 |
MetadataModified | 2024-09-08T01:33:22.885886 |
MetadataPublished | 2023-09-14 |
Field | Value |
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Measurement Technique | correlation spectroscopy |
Measurement Variables |