Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C15H21NOS/c1-14(2,3)12-4-6-13(7-5-12)18(16,17)15-8-11(9-15)10-15/h4-7,11,16H,8-10H2,1-3H3
SMILES	CC(c1ccc(cc1)S(=O)(=N)C12CC(C1)C2)(C)C
InChI Key	SHJRUIRDOASXQU-UHFFFAOYSA-N
Molecular Formula	C15H21NOS
Exact Mass	263.398 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/SHJRUIRDOASXQU-UHFFFAOYSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/SHJRUIRDOASXQU-UHFFFAOYSA-N/CHMO0000156
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:19:47.584669
MetadataModified	2024-09-07T16:50:38.618117
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
145926382	PubChem
The data in this table is sourced from UniChem at EBI.