Dataset
Fourier transform infrared spectroscopy (FTIR)
Chemical Information
| InChI | InChI=1S/C64H35NO2/c66-61-45-21-7-14-28-58(45)65-59-35-57-46(43-20-6-13-27-55(43)64(57)52-24-10-3-17-40(52)41-18-4-11-25-53(41)64)34-47(59)62(67)49-32-37(31-48(61)60(49)65)36-29-30-44-42-19-5-12-26-54(42)63(56(44)33-36)50-22-8-1-15-38(50)39-16-2-9-23-51(39)63/h1-35H |
|---|---|
| SMILES | O=c1c2cc(cc3c2n(c2c1cccc2)c1c(c3=O)cc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3)c1ccc2-c3c(C4(c2c1)c1ccccc1-c1c4cccc1)cccc3 |
| InChI Key | IDHLBQTYSIDCBK-UHFFFAOYSA-N |
| Exact Mass | 849.968 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/IDHLBQTYSIDCBK-UHFFFAOYSA-N/CHMO0000636 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/IDHLBQTYSIDCBK-UHFFFAOYSA-N/CHMO0000636 |
| Version | |
| Author | Janine Haug |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-09-16 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | Fourier transform infrared spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| No additional information available for this Dataset. | |