Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C17H16N2O3S/c20-19(21)15-8-6-14(7-9-15)18-23(22,16-4-2-1-3-5-16)17-10-13(11-17)12-17/h1-9,13H,10-12H2
SMILES	O=S(=Nc1ccc(cc1)[N+](=O)[O-])(C12CC(C1)C2)c1ccccc1
InChI Key	ALPYHDRJUBWTEY-UHFFFAOYSA-N
Molecular Formula	C17H16N2O3S
Exact Mass	328.386 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ALPYHDRJUBWTEY-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/ALPYHDRJUBWTEY-UHFFFAOYSA-N/CHMO0000595
Version
Author	Lukas Langer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:18:02.170101
MetadataModified	2024-09-07T16:48:29.243503
MetadataPublished	2020-02-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
145926375	PubChem
The data in this table is sourced from UniChem at EBI.