Dataset
MS-234.hmbc
Chemical Info
| InChI | InChI=1S/C22H24N4O/c1-22(2,17-11-5-3-6-12-17)24-21(27)20-18-13-7-8-14-19(18)26(25-20)16-10-4-9-15-23/h3,5-8,11-14H,4,9-10,16H2,1-2H3,(H,24,27) |
|---|---|
| SMILES | CC(C)(NC(=O)C1=NN(CCCCC#N)C2=CC=CC=C12)C1=CC=CC=C1 |
| InChI Key | JGTSOWOPISVAHG-UHFFFAOYSA-N |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p84.s710.d3500 |
| License URL | https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode |
| Source | https://nmrxiv.org/D3500 |
| Version | |
| Author | Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert |
| Maintainer | |
| Language | english |
| MetadataCreated | 2025-02-03T17:06:21.667096 |
| MetadataModified | 2025-02-03T17:06:21.667101 |
| MetadataPublished | 2025-01-09 07:49:00 |
| Related Molecule |