Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C14H16N2O5S/c1-2-21-13(17)15-22(20,14-7-10(8-14)9-14)12-5-3-11(4-6-12)16(18)19/h3-6,10H,2,7-9H2,1H3
SMILES	CCOC(=O)N=S(=O)(C12CC(C1)C2)c1ccc(cc1)[N+](=O)[O-]
InChI Key	IVTHOYRIKUXPBD-UHFFFAOYSA-N
Molecular Formula	C14H16N2O5S
Exact Mass	324.352 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/IVTHOYRIKUXPBD-UHFFFAOYSA-N/CHMO0000156.1
License URL
Source	https://www.chemotion-repository.net/inchikey/IVTHOYRIKUXPBD-UHFFFAOYSA-N/CHMO0000156.1
Version
Author	Martin Nieger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:18:19.205325
MetadataModified	2024-09-07T16:48:53.029331
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
145926387	PubChem
The data in this table is sourced from UniChem at EBI.