Dataset

6NSN054.dept

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

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Metadata Information

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• Measurement

Field	Value
DOI	10.57992/nmrxiv.p5.s38.d90
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D90
Version
Author	Dose B, Niehs SP, Scherlach K, Shahda S, Flórez LV, Kaltenpoth M, Hertweck C.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:30:47.810118
MetadataModified	2024-05-15T08:51:04.425274
MetadataPublished	2022-10-27 15:09:20

Field	Value
Measurement Technique	distortionless enhancement with polarization transfer
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/D Z-GRD Z75812/0049 Temperature : 300 K magnetic field strength : 14.095295271290505 Tesla number of scans : 511 scans nuclear magnetic resonance pulse sequence : deptsp135 Spectral Width : 220.818026914581 number of data points : 17 points relaxation time measurement : 4 seconds