Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C14H17NO3S/c1-2-18-13(16)15-19(17,12-6-4-3-5-7-12)14-8-11(9-14)10-14/h3-7,11H,2,8-10H2,1H3
SMILES	CCOC(=O)N=S(=O)(C12CC(C1)C2)c1ccccc1
InChI Key	NWTHAPVAOQANKX-UHFFFAOYSA-N
Molecular Formula	C14H17NO3S
Exact Mass	279.355 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NWTHAPVAOQANKX-UHFFFAOYSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/NWTHAPVAOQANKX-UHFFFAOYSA-N/CHMO0000156
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:16:21.201216
MetadataModified	2024-09-07T16:46:21.458536
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
145926374	PubChem
The data in this table is sourced from UniChem at EBI.