Dataset
mass spectrometry (MS)
Chemical Information
| InChI | InChI=1S/C50H30N8/c1-6-16-42-35(11-1)36-12-2-7-17-43(36)56(42)33-25-27-46-39(29-33)40-30-34(57-44-18-8-3-13-37(44)38-14-4-9-19-45(38)57)26-28-47(40)55(46)32-23-21-31(22-24-32)49-50-52-53-54-58(50)48-20-10-5-15-41(48)51-49/h1-30H |
|---|---|
| SMILES | c1ccc2c(c1)n1nnnc1c(n2)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)n1c2ccccc2c2c1cccc2)n1c2ccccc2c2c1cccc2 |
| InChI Key | ZXWJJUUVPZGEDS-UHFFFAOYSA-N |
| Molecular Formula | C50H30N8 |
| Exact Mass | 742.827 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/ZXWJJUUVPZGEDS-UHFFFAOYSA-N/CHMO0000470 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/ZXWJJUUVPZGEDS-UHFFFAOYSA-N/CHMO0000470 |
| Version | |
| Author | Pit Turpel |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-05-08 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |