Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C33H28FN/c1-21-17-22(2)29-20-31(27-13-15-28(34)16-14-27)33(35-32(29)18-21)30-19-25-8-7-23-3-5-24(6-4-23)9-11-26(30)12-10-25/h3-6,10,12-20H,7-9,11H2,1-2H3 |
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SMILES | Fc1ccc(cc1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C |
InChI Key | NDQHDQLFNYWSJT-UHFFFAOYSA-N |
Molecular Formula | C33H28FN |
Exact Mass | 457.581 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/NDQHDQLFNYWSJT-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NDQHDQLFNYWSJT-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:36:38.574678 |
MetadataModified | 2024-09-08T03:36:38.574683 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |