Dataset

6NSN054.hmbc

Chemical Info

InChI	InChI=1S/C15H17NO5S/c1-9-12(17)13(18)14(19)15(20-9)21-11-4-2-10(3-5-11)6-7-16-8-22/h2-7,9,12-15,17-19H,1H3
SMILES	CC1OC(OC2=CC=C(C=CN=C=S)C=C2)C(O)C(O)C1O
InChI Key	SPOBXRRALUNUHR-UHFFFAOYSA-N

Data and Resources

• 6NSN054.hmbcHTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p5.s38.d86
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D86
Version
Author	Dose B, Niehs SP, Scherlach K, Shahda S, Flórez LV, Kaltenpoth M, Hertweck C.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:32:45.991050
MetadataModified	2024-09-23T09:27:57.353468
MetadataPublished	2022-10-27 15:09:20

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049 Temperature : 300 K magnetic field strength : 14.098298464259486 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : hmbcgplpndqf Spectral Width : [18.0292605712711, 219.354559217764] number of data points : 21 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.