Dataset
1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
Chemical Info
InChI | InChI=1S/C28H31BrN6/c1-27(2,3)32-25-23(30-21-11-7-9-13-34(21)25)18-15-19(17-20(29)16-18)24-26(33-28(4,5)6)35-14-10-8-12-22(35)31-24/h7-17,32-33H,1-6H3 |
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SMILES | Brc1cc(cc(c1)c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2 |
InChI Key | WYOKKBFRYQMBFS-UHFFFAOYSA-N |
Molecular Formula | C28H31BrN6 |
Exact Mass | 531.490 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/WYOKKBFRYQMBFS-UHFFFAOYSA-N/CHMO0001146 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/WYOKKBFRYQMBFS-UHFFFAOYSA-N/CHMO0001146 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:40:32.238629 |
MetadataModified | 2024-09-08T01:40:32.238634 |
MetadataPublished | 2023-10-02 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear single quantum coherence |
Measurement Variables |