Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C12H15NO2S/c14-16(15,12-6-11(7-12)8-12)13-9-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
SMILES	O=S(=O)(C12CC(C1)C2)NCc1ccccc1
InChI Key	HDEKBUQPCJOEAM-UHFFFAOYSA-N
Molecular Formula	C12H15NO2S
Exact Mass	237.318 g/mol

Data and Resources

• X-ray diffraction (XRD)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HDEKBUQPCJOEAM-UHFFFAOYSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/HDEKBUQPCJOEAM-UHFFFAOYSA-N/CHMO0000156
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:09:43.574488
MetadataModified	2024-09-07T16:38:00.069114
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
145926354	PubChem
The data in this table is sourced from UniChem at EBI.