Dataset

5-Boc-cysteamine NADA CDCl3[20]

This dataset contains NMR spectra obtained for the sample -5-Boc-cysteamine NADA CDCl3 Nucleus: 1H NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 399.89 Magnetic Field Strength: 9.392054508739783 Number of Scans: 16 NMR Pulse Sequence: zg30 Spectral Width: 20.4303477172278 Number of Data Points: 32768 Relaxation Delay: 0.1 Observed Frequency: 399.892099420002 Nucleus: 13C NMR Solvent: CDCl3 NMR Probe: 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 NMR Pulse Sequence: 1d Temperature: 300 Observed Frequency: 100.55242 Magnetic Field Strength: 9.390623997729316 Number of Scans: 2400 NMR Pulse Sequence: zgpg30 Spectral Width: 239.037680602271 Number of Data Points: 65536 Relaxation Delay: 0.6316769 Observed Frequency: 100.563482200359

Chemical Information

InChI	InChI=1S/C17H26N2O5S/c1-11(20)18-6-5-12-9-13(21)15(22)14(10-12)25-8-7-19-16(23)24-17(2,3)4/h9-10,21-22H,5-8H2,1-4H3,(H,18,20)(H,19,23)
SMILES	CC(=O)NCCC1=CC(SCCNC(=O)OC(C)(C)C)=C(O)C(O)=C1
InChI Key	TXYXNIQYKYEYEW-UHFFFAOYSA-N

Data and Resources

5-Boc-cysteamine NADA CDCl3[20]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p149.s1498.d6578
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6578
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	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm PABBO BB-1H/D Z-GRD Z108618/0212 Temperature : 300 K magnetic field strength : 9.392054508739783 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 20.4303477172278 number of data points : 32768 points relaxation time measurement : 0.1 seconds

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