Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C19H26N4S/c1-18(2,3)15-9-11-22(20-15)17(14-8-7-13-24-14)23-12-10-16(21-23)19(4,5)6/h7-13,17H,1-6H3 |
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SMILES | CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccs1)(C)C |
InChI Key | QTIQVBQUEFIRBE-UHFFFAOYSA-N |
Molecular Formula | C19H26N4S |
Exact Mass | 342.502 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/QTIQVBQUEFIRBE-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QTIQVBQUEFIRBE-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Alexander Hoffmann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T04:26:00.356657 |
MetadataModified | 2024-09-07T19:37:53.034026 |
MetadataPublished | 2021-04-21 |
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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155885716 | PubChem |
The data in this table is sourced from UniChem at EBI. |