Dataset
heteronuclear multiple bond coherence (HMBC)
Chemical Info
InChI | InChI=1S/C12H11N5O/c1-18-10-4-2-9(3-5-10)11-8-17(16-14-11)12-6-7-13-15-12/h2-8H,1H3,(H,13,15) |
---|---|
SMILES | COc1ccc(cc1)c1nnn(c1)c1n[nH]cc1 |
InChI Key | PQOYNAQPLQYWLU-UHFFFAOYSA-N |
Molecular Formula | C12H11N5O |
Exact Mass | 241.249 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000601 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PQOYNAQPLQYWLU-UHFFFAOYSA-N/CHMO0000601 |
Version | |
Author | Nicolai Wippert |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:52:50.054655 |
MetadataModified | 2024-09-08T02:52:50.054660 |
MetadataPublished | 2024-02-14 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |