Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Information
| InChI | InChI=1S/C40H32N2/c1-2-8-33(9-3-1)41-38-27-31-20-18-28-14-16-29(17-15-28)19-21-32(38)26-37(31)30-22-24-34(25-23-30)42-39-12-6-4-10-35(39)36-11-5-7-13-40(36)42/h1-17,22-27,41H,18-21H2 |
|---|---|
| SMILES | c1ccc(cc1)Nc1cc2CCc3ccc(CCc1cc2c1ccc(cc1)n1c2ccccc2c2c1cccc2)cc3 |
| InChI Key | KRJCOBGZHYQKIP-UHFFFAOYSA-N |
| Molecular Formula | C40H32N2 |
| Exact Mass | 540.695 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000563 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/KRJCOBGZHYQKIP-UHFFFAOYSA-N/CHMO0000563 |
| Version | |
| Author | Christoph Zippel |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2023-01-04 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | fast-atom bombardment mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 166451840 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |