Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C31H24N2O2/c34-33(35)27-17-15-25(16-18-27)29-20-26-3-1-2-4-30(26)32-31(29)28-19-23-10-9-21-5-7-22(8-6-21)11-13-24(28)14-12-23/h1-8,12,14-20H,9-11,13H2 |
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SMILES | [O-][N+](=O)c1ccc(cc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3 |
InChI Key | PYFNPGHXHOMXKK-UHFFFAOYSA-N |
Molecular Formula | C31H24N2O2 |
Exact Mass | 456.534 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PYFNPGHXHOMXKK-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PYFNPGHXHOMXKK-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:34:46.803710 |
MetadataModified | 2024-09-08T03:34:46.803715 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |