Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C21H23N5O2/c1-27-16-10-14-15(11-17(16)28-2)20(23-13-6-4-3-5-7-13)25-21-19(14)24-18-12-22-8-9-26(18)21/h8-13H,3-7H2,1-2H3,(H,23,25) |
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SMILES | COc1cc2c(NC3CCCCC3)nc3c(c2cc1OC)nc1n3ccnc1 |
InChI Key | OQALJCKHBAHWFS-UHFFFAOYSA-N |
Molecular Formula | C21H23N5O2 |
Exact Mass | 377.440 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/OQALJCKHBAHWFS-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T08:17:22.180548 |
MetadataModified | 2024-09-08T00:14:57.285524 |
MetadataPublished | 2023-01-23 |
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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166451847 | PubChem |
The data in this table is sourced from UniChem at EBI. |