Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Information
| InChI | InChI=1S/C39H21NO2/c41-37-25-13-4-8-19-34(25)40-35-21-33-28(20-29(35)38(42)27-15-9-14-26(37)36(27)40)24-12-3-7-18-32(24)39(33)30-16-5-1-10-22(30)23-11-2-6-17-31(23)39/h1-21H |
|---|---|
| SMILES | O=c1c2cc3-c4ccccc4C4(c3cc2n2c3c1cccc3c(=O)c1c2cccc1)c1ccccc1-c1c4cccc1 |
| InChI Key | FXBSVQLXPFJQAD-UHFFFAOYSA-N |
| Exact Mass | 535.590 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0000563.1 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/FXBSVQLXPFJQAD-UHFFFAOYSA-N/CHMO0000563.1 |
| Version | |
| Author | Janine Haug |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-09-16 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | fast-atom bombardment mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |