Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C17H21N5/c1-4-5-8-13-11-22(21-20-13)17-16(12(2)3)18-14-9-6-7-10-15(14)19-17/h6-7,9-12H,4-5,8H2,1-3H3 |
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SMILES | CCCCc1nnn(c1)c1nc2ccccc2nc1C(C)C |
InChI Key | YKTZEDKRYOIMNU-UHFFFAOYSA-N |
Molecular Formula | C17H21N5 |
Exact Mass | 295.382 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/YKTZEDKRYOIMNU-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YKTZEDKRYOIMNU-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T06:02:11.377543 |
MetadataModified | 2024-09-07T21:41:37.211630 |
MetadataPublished | 2022-02-11 |
Field | Value |
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Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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162623392 | PubChem |
The data in this table is sourced from UniChem at EBI. |