Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C29H27NO/c1-31-29-10-6-5-9-26(29)27-19-24-18-16-22-13-11-21(12-14-22)15-17-23(27)20-28(24)30-25-7-3-2-4-8-25/h2-14,19-20,30H,15-18H2,1H3 |
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SMILES | COc1ccccc1c1cc2CCc3ccc(CCc1cc2Nc1ccccc1)cc3 |
InChI Key | XTJRNBYCUHZGMU-UHFFFAOYSA-N |
Molecular Formula | C29H27NO |
Exact Mass | 405.531 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XTJRNBYCUHZGMU-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Christoph Zippel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T08:12:51.156855 |
MetadataModified | 2024-09-08T00:09:10.281877 |
MetadataPublished | 2023-01-04 |
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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166451844 | PubChem |
The data in this table is sourced from UniChem at EBI. |