Dataset
high resolution fast-atom bombardment mass spectrometry (HRFABMS)
Chemical Info
InChI | InChI=1S/C19H22BrN3O2/c1-19(2,3)22-18-17(21-16-8-6-7-9-23(16)18)12-10-14(24-4)15(25-5)11-13(12)20/h6-11,22H,1-5H3 |
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SMILES | COc1cc(Br)c(cc1OC)c1nc2n(c1NC(C)(C)C)cccc2 |
InChI Key | GAUNOMJAIRSHHA-UHFFFAOYSA-N |
Molecular Formula | C19H22BrN3O2 |
Exact Mass | 404.301 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/GAUNOMJAIRSHHA-UHFFFAOYSA-N/CHMO0000726 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/GAUNOMJAIRSHHA-UHFFFAOYSA-N/CHMO0000726 |
Version | |
Author | Mareen Stahlberger |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T08:19:04.039755 |
MetadataModified | 2024-09-08T00:17:08.824558 |
MetadataPublished | 2023-01-23 |
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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166451846 | PubChem |
The data in this table is sourced from UniChem at EBI. |