Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H18Br2N2O4S2/c1-13-3-7-15(8-4-13)29(25,26)23-19-11-17(21)18(22)12-20(19)24-30(27,28)16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3
SMILES Brc1cc(NS(=O)(=O)c2ccc(cc2)C)c(cc1Br)NS(=O)(=O)c1ccc(cc1)C
InChI Key HQTDELJACHUANE-UHFFFAOYSA-N
Molecular Formula C20H18Br2N2O4S2
Exact Mass 574.306 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HQTDELJACHUANE-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/HQTDELJACHUANE-UHFFFAOYSA-N/CHMO0000470
Version
Author Jérôme Klein
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T05:17:59.385020
MetadataModified 2024-09-07T20:44:45.387411
MetadataPublished 2021-12-10
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