Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C16H26O7S2/c1-15(2,3)11-21-24(17,18)10-9-13-7-8-14(23-13)25(19,20)22-12-16(4,5)6/h7-10H,11-12H2,1-6H3/b10-9+
SMILES CC(COS(=O)(=O)/C=C/c1ccc(o1)S(=O)(=O)OCC(C)(C)C)(C)C
InChI Key JXPGRUREMBXEGE-MDZDMXLPSA-N
Molecular Formula C16H26O7S2
Exact Mass 394.503 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JXPGRUREMBXEGE-MDZDMXLPSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/JXPGRUREMBXEGE-MDZDMXLPSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:12:02.263281
MetadataModified 2025-01-29T16:05:19.313014
MetadataPublished 2024-10-15
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