Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C19H12BrNO4/c1-10(22)21-11-6-7-16(20)14(8-11)19(25)15-9-17(23)12-4-2-3-5-13(12)18(15)24/h2-9H,1H3,(H,21,22) |
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SMILES | CC(=O)Nc1ccc(c(c1)C(=O)C1=CC(=O)c2c(C1=O)cccc2)Br |
InChI Key | MWUPABMFGFIHKP-UHFFFAOYSA-N |
Molecular Formula | C19H12BrNO4 |
Exact Mass | 398.207 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/MWUPABMFGFIHKP-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/MWUPABMFGFIHKP-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Janina Beck |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:12:26.191169 |
MetadataModified | 2024-09-07T18:01:23.119214 |
MetadataPublished | 2020-05-07 |
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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146035832 | PubChem |
The data in this table is sourced from UniChem at EBI. |