Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Information
| InChI | InChI=1S/C35H31NO2/c1-35(2)29-15-6-8-17-31(29)36(32-18-9-7-16-30(32)35)26-20-21-34(38-4)28(23-26)25-13-11-12-24(22-25)27-14-5-10-19-33(27)37-3/h5-23H,1-4H3 |
|---|---|
| SMILES | COc1ccc(cc1c1cccc(c1)c1ccccc1OC)N1c2ccccc2C(c2c1cccc2)(C)C |
| InChI Key | MNLLWAHMKVXKNS-UHFFFAOYSA-N |
| Molecular Formula | C35H31NO2 |
| Exact Mass | 497.626 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/MNLLWAHMKVXKNS-UHFFFAOYSA-N/CHMO0000593 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/MNLLWAHMKVXKNS-UHFFFAOYSA-N/CHMO0000593 |
| Version | |
| Author | Zhen Zhang |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2020-10-26 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 154723625 | PubChem |
| The data in this table is sourced from UniChem at EBI. | |