Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C30H44N4O2/c1-19(2)33(20(3)4)29(35)31-27-17-23-9-13-25(27)15-11-24-10-14-26(16-12-23)28(18-24)32-30(36)34(21(5)6)22(7)8/h9-10,13-14,17-22H,11-12,15-16H2,1-8H3,(H,31,35)(H,32,36) |
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SMILES | CC(N(C(=O)Nc1cc2CCc3ccc(CCc1cc2)cc3NC(=O)N(C(C)C)C(C)C)C(C)C)C |
InChI Key | SYLHUQHUTGQNDF-UHFFFAOYSA-N |
Molecular Formula | C30H44N4O2 |
Exact Mass | 492.696 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/SYLHUQHUTGQNDF-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/SYLHUQHUTGQNDF-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Christoph Zippel |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T05:41:03.108216 |
MetadataModified | 2024-09-07T21:13:58.901798 |
MetadataPublished | 2022-01-10 |
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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162394342 | PubChem |
The data in this table is sourced from UniChem at EBI. |