Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Information
| InChI | InChI=1S/C36H38N4/c1-21-17-23(32-34(37)39-29-12-10-9-11-28(29)38-32)18-22(2)33(21)40-30-15-13-24(35(3,4)5)19-26(30)27-20-25(36(6,7)8)14-16-31(27)40/h9-20H,1-8H3,(H2,37,39) |
|---|---|
| SMILES | Cc1cc(cc(c1n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)C)c1nc2ccccc2nc1N |
| InChI Key | ATSWYSBLRUHSKJ-UHFFFAOYSA-N |
| Exact Mass | 526.714 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ATSWYSBLRUHSKJ-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ATSWYSBLRUHSKJ-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Laura Holzhauer |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-03-16 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |