Dataset
MS-388.hmbc
Chemical Info
| InChI | InChI=1S/C22H24FN3O3/c1-4-29-22(28)19(14(2)3)24-21(27)20-17-7-5-6-8-18(17)26(25-20)13-15-9-11-16(23)12-10-15/h5-12,14,19H,4,13H2,1-3H3,(H,24,27) |
|---|---|
| SMILES | CCOC(=O)C(NC(=O)C1=NN(CC2=CC=C(F)C=C2)C2=CC=CC=C12)C(C)C |
| InChI Key | YOECWCNJGHHTMN-UHFFFAOYSA-N |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p84.s719.d3547 |
| License URL | https://creativecommons.org/licenses/by-nc-nd/4.0/legalcode |
| Source | https://nmrxiv.org/D3547 |
| Version | |
| Author | Eva‐Maria Hubner, Martin G. Schmid, Verina Manojlovic, Daniela Gattringer, Eva‐Maria Pferschy‐Wenzig, Olaf Kunert |
| Maintainer | |
| Language | english |
| MetadataCreated | 2025-02-03T17:06:16.861138 |
| MetadataModified | 2025-02-03T17:06:16.861144 |
| MetadataPublished | 2025-01-09 07:49:00 |
| Related Molecule |