Dataset

317E-20.

This dataset contains NMR spectra obtained for the sample -317E-20 name: PROTON_01.fid phc0: -139.161300659 isFid: true nucleus: 1H solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 599.690698372 spectralWidth: 17.969033200370767 numberOfPoints: 21552 frequencyOffset: 4197.827999973924 originFrequency: 599.6948962 name: PROTON_02.fid phc0: 40.8844144548 isFid: true nucleus: 1H solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 599.690698372 spectralWidth: 17.969033200370767 numberOfPoints: 21552 frequencyOffset: 4197.827999973924 originFrequency: 599.6948962 name: CARBON_01.fid phc0: -138.836085544 isFid: true nucleus: 13C solvent: dmso dimension: 1 isComplex: true temperature: 25 baseFrequency: 150.792346044 spectralWidth: 251.1983457552101 numberOfPoints: 32768 frequencyOffset: 16587.156000014147 originFrequency: 150.8089332

Chemical Info

InChI	InChI=1S/C15H15N3O3S/c1-22-15-6-9-8-4-2-3-5-10(8)16-11(9)14(7-19,12(20)18-15)17-13(15)21/h2-5,16,19H,6-7H2,1H3,(H,17,21)(H,18,20)/t14-,15+/m1/s1
SMILES	CS[C@@]12CC3=C(NC4=C3C=CC=C4)[C@@](CO)(NC1=O)C(=O)N2
InChI Key	GQQXRZALBWBSBI-CABCVRRESA-N

Data and Resources

317E-20.HTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p66.s500.d2464
License URL	https://creativecommons.org/licenses/by-sa/4.0/legalcode
Source	https://nmrxiv.org/D2464
Version
Author
Maintainer
Language	english
MetadataCreated	2025-02-03T15:47:39.874251
MetadataModified	2025-02-03T15:47:39.874257
MetadataPublished	2024-04-20 03:12:29
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

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