Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H26O3S/c1-14(2)17-10-9-15(3)13-18(17)21-22(19,20)12-11-16-7-5-4-6-8-16/h4-8,11-12,14-15,17-18H,9-10,13H2,1-3H3/b12-11+/t15-,17+,18-/m1/s1
SMILES	C[C@@H]1CC[C@H]([C@@H](C1)OS(=O)(=O)/C=C/c1ccccc1)C(C)C
InChI Key	FKWGKMBPKNXHHI-XVOPWDCPSA-N
Molecular Formula	C18H26O3S
Exact Mass	322.462 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/FKWGKMBPKNXHHI-XVOPWDCPSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FKWGKMBPKNXHHI-XVOPWDCPSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:14:16.875147
MetadataModified	2025-01-29T16:07:22.969441
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.