Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C13H17NO5S/c1-13(2,3)10-19-20(17,18)9-8-11-4-6-12(7-5-11)14(15)16/h4-9H,10H2,1-3H3/b9-8+
SMILES	CC(COS(=O)(=O)/C=C/c1ccc(cc1)[N+](=O)[O-])(C)C
InChI Key	MFGOXJJGCZRRRX-CMDGGOBGSA-N
Molecular Formula	C13H17NO5S
Exact Mass	299.343 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MFGOXJJGCZRRRX-CMDGGOBGSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MFGOXJJGCZRRRX-CMDGGOBGSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:15:05.808154
MetadataModified	2025-01-29T16:08:11.665833
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.