Dataset
high resolution fast-atom bombardment mass spectrometry (HRFABMS)
Chemical Info
InChI | InChI=1S/C28H31BrN6/c1-27(2,3)32-25-23(30-20-14-7-9-16-34(20)25)18-12-11-13-19(22(18)29)24-26(33-28(4,5)6)35-17-10-8-15-21(35)31-24/h7-17,32-33H,1-6H3 |
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SMILES | Brc1c(cccc1c1nc2n(c1NC(C)(C)C)cccc2)c1nc2n(c1NC(C)(C)C)cccc2 |
InChI Key | IXUAUZAVCPSYKM-UHFFFAOYSA-N |
Molecular Formula | C28H31BrN6 |
Exact Mass | 531.490 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/IXUAUZAVCPSYKM-UHFFFAOYSA-N/CHMO0000726 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/IXUAUZAVCPSYKM-UHFFFAOYSA-N/CHMO0000726 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T01:42:52.895086 |
MetadataModified | 2024-09-08T01:42:52.895090 |
MetadataPublished | 2023-10-02 |
Field | Value |
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Measurement Technique | high resolution fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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168665435 | PubChem |
The data in this table is sourced from UniChem at EBI. |