Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C35H32BrN/c1-2-3-4-26-13-20-34-30(21-26)23-33(29-16-18-31(36)19-17-29)35(37-34)32-22-27-10-9-24-5-7-25(8-6-24)11-14-28(32)15-12-27/h5-8,12-13,15-23H,2-4,9-11,14H2,1H3 |
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SMILES | CCCCc1ccc2c(c1)cc(c(n2)c1cc2CCc3ccc(CCc1cc2)cc3)c1ccc(cc1)Br |
InChI Key | RBLFPIADVFNBEY-UHFFFAOYSA-N |
Molecular Formula | C35H32BrN |
Exact Mass | 546.539 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/RBLFPIADVFNBEY-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/RBLFPIADVFNBEY-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Tilman Hans Köhler |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T03:27:40.369469 |
MetadataModified | 2024-09-08T03:27:40.369475 |
MetadataPublished | 2024-05-21 |
Field | Value |
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Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |