Dataset

2-Boc-cysteamine NADA CDCl3[3]

This dataset contains NMR spectra obtained for the sample -2-Boc-cysteamine NADA CDCl3 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 400.13 Magnetic Field Strength: 9.397691291560301 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.0254428533683 Number of Data Points: 32768 Relaxation Delay: 0.1 Observed Frequency: 400.13200065 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 100.612769 Magnetic Field Strength: 9.39626001094152 Number of Scans: 2000 NMR Pulse Sequence: zgpg Spectral Width: 200.36497008264 Number of Data Points: 65536 Relaxation Delay: 0.3715336 Observed Frequency: 100.62283

Chemical Information

InChI	InChI=1S/C17H26N2O5S/c1-11(20)18-8-7-12-5-6-13(21)14(22)15(12)25-10-9-19-16(23)24-17(2,3)4/h5-6,21-22H,7-10H2,1-4H3,(H,18,20)(H,19,23)
SMILES	CC(=O)NCCC1=CC=C(O)C(O)=C1SCCNC(=O)OC(C)(C)C
InChI Key	WOZHQQZTKGGJOP-UHFFFAOYSA-N

Data and Resources

2-Boc-cysteamine NADA CDCl3[3]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p149.s1494.d6562
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6562
Version
Author	Qiqi Wang, Melissa M. Cadelis, Brent R. Copp
Maintainer
Language	english
MetadataPublished	2025-10-14T21:24:39.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB/19F-1H/D Z-GRD Z104450/0124 Temperature : 300 K magnetic field strength : 9.39626001094152 Tesla number of scans : 2000 scans nuclear magnetic resonance pulse sequence : zgpg Spectral Width : 200.36497008264 number of data points : 65536 points relaxation time measurement : 0.3715336 seconds

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