Dataset
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
InChI | InChI=1S/C19H20N4O2/c1-11(2)20-18-13-10-15(25-4)14(24-3)9-12(13)17-19(22-18)23-8-6-5-7-16(23)21-17/h5-11H,1-4H3,(H,20,22) |
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SMILES | COc1cc2c(NC(C)C)nc3c(c2cc1OC)nc1n3cccc1 |
InChI Key | VJUXHPAAXFEYKZ-UHFFFAOYSA-N |
Molecular Formula | C19H20N4O2 |
Exact Mass | 336.388 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/VJUXHPAAXFEYKZ-UHFFFAOYSA-N/CHMO0001148 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VJUXHPAAXFEYKZ-UHFFFAOYSA-N/CHMO0001148 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T08:15:04.359357 |
MetadataModified | 2024-09-08T00:12:01.047837 |
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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166451855 | PubChem |
The data in this table is sourced from UniChem at EBI. |