Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H20O5S/c1-12(16)20-14-7-5-13(6-8-14)9-10-21(17,18)19-11-15(2,3)4/h5-10H,11H2,1-4H3/b10-9+
SMILES CC(=O)Oc1ccc(cc1)/C=C/S(=O)(=O)OCC(C)(C)C
InChI Key XSFAWQKHXVRJFW-MDZDMXLPSA-N
Molecular Formula C15H20O5S
Exact Mass 312.381 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XSFAWQKHXVRJFW-MDZDMXLPSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/XSFAWQKHXVRJFW-MDZDMXLPSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:12:48.374820
MetadataModified 2025-01-29T16:06:01.914734
MetadataPublished 2024-10-15
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