Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C16H20N6/c1-3-21(4-2)10-9-13-12-22(20-19-13)16-11-17-14-7-5-6-8-15(14)18-16/h5-8,11-12H,3-4,9-10H2,1-2H3 |
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SMILES | CCN(CCc1nnn(c1)c1cnc2c(n1)cccc2)CC |
InChI Key | CGUDGUUWCJKDIE-UHFFFAOYSA-N |
Molecular Formula | C16H20N6 |
Exact Mass | 296.370 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/CGUDGUUWCJKDIE-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/CGUDGUUWCJKDIE-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:07:01.433156 |
MetadataModified | 2024-09-07T21:47:55.275439 |
MetadataPublished | 2022-02-11 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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162623397 | PubChem |
The data in this table is sourced from UniChem at EBI. |