Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C8H3BrN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13) |
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SMILES | O=C1NC(=O)c2c1cc([N+](=O)[O-])c(c2)Br |
InChI Key | YLGNUZYLLNKCPD-UHFFFAOYSA-N |
Molecular Formula | C8H3BrN2O4 |
Exact Mass | 271.024 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YLGNUZYLLNKCPD-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YLGNUZYLLNKCPD-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Martin Nieger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2025-03-08T03:02:21.783774 |
MetadataModified | 2025-03-09T03:11:52.005077 |
MetadataPublished | 2025-03-07 |
Related Molecule |