Dataset
fast-atom bombardment mass spectrometry (FABMS)
Chemical Info
InChI | InChI=1S/C25H22BrNO4/c1-13-10-20-22(29)17-6-4-5-7-18(17)23(30)25(20,12-14(13)2)24(31)19-11-16(27-15(3)28)8-9-21(19)26/h4-9,11,20H,10,12H2,1-3H3,(H,27,28) |
---|---|
SMILES | CC(=O)Nc1ccc(c(c1)C(=O)C12CC(=C(CC1C(=O)c1c(C2=O)cccc1)C)C)Br |
InChI Key | BBXGNCLCSRWQFG-UHFFFAOYSA-N |
Molecular Formula | C25H22BrNO4 |
Exact Mass | 480.350 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/BBXGNCLCSRWQFG-UHFFFAOYSA-N/CHMO0000563 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/BBXGNCLCSRWQFG-UHFFFAOYSA-N/CHMO0000563 |
Version | |
Author | Janina Beck |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T03:13:42.001996 |
MetadataModified | 2024-09-07T18:03:00.149090 |
MetadataPublished | 2020-05-07 |
Field | Value |
---|---|
Measurement Technique | fast-atom bombardment mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
146035837 | PubChem |
The data in this table is sourced from UniChem at EBI. |