Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H18O3S/c15-18(16,17-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2/b12-11+
SMILES	O=S(=O)(OC1CCCCC1)/C=C/c1ccccc1
InChI Key	NABCLFIQWWOVSR-VAWYXSNFSA-N
Molecular Formula	C14H18O3S
Exact Mass	266.356 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/NABCLFIQWWOVSR-VAWYXSNFSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NABCLFIQWWOVSR-VAWYXSNFSA-N/CHMO0000470
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:14:54.016381
MetadataModified	2025-01-29T16:08:00.367910
MetadataPublished	2024-10-15
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL952728	SureChEMBL
The data in this table is sourced from UniChem at EBI.