Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C33H28BrN/c1-21-16-22(2)29-20-31(27-4-3-5-28(34)19-27)33(35-32(29)17-21)30-18-25-11-10-23-6-8-24(9-7-23)12-14-26(30)15-13-25/h3-9,13,15-20H,10-12,14H2,1-2H3 |
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SMILES | Brc1cccc(c1)c1cc2c(C)cc(cc2nc1c1cc2CCc3ccc(CCc1cc2)cc3)C |
InChI Key | DAUFYDPQPDYBQV-UHFFFAOYSA-N |
Molecular Formula | C33H28BrN |
Exact Mass | 518.486 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/DAUFYDPQPDYBQV-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/DAUFYDPQPDYBQV-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:34:37.741160 |
MetadataModified | 2024-09-08T03:34:37.741165 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |