Dataset
heteronuclear single quantum coherence (HSQC)
Chemical Info
InChI | InChI=1S/C10H8BrN5/c11-9-3-1-8(2-4-9)7-16-6-5-10(14-16)13-15-12/h1-6H,7H2 |
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SMILES | [N-]=[N+]=Nc1ccn(n1)Cc1ccc(cc1)Br |
InChI Key | MPLVWOQSFNIWDU-UHFFFAOYSA-N |
Molecular Formula | C10H8BrN5 |
Exact Mass | 278.108 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000604 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MPLVWOQSFNIWDU-UHFFFAOYSA-N/CHMO0000604 |
Version | |
Author | Nicolai Wippert |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:42:52.356739 |
MetadataModified | 2024-09-07T21:16:22.193265 |
MetadataPublished | 2022-01-10 |
Field | Value |
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Measurement Technique | heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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151107773 | PubChem |
The data in this table is sourced from UniChem at EBI. |