Dataset

Chitosamine[6]

This dataset contains NMR spectra obtained for the sample containing Chitosamine

Chemical Information

molecular Image

InChI	InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3+,4+,5-,6+/m0/s1
SMILES	N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O
InChI Key	MSWZFWKMSRAUBD-SXUWKVJYSA-N
Molecular Formula	C6H13NO5
Exact Mass	179.170 g/mol

Data and Resources

Chitosamine[6]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p42.s1303.d5710
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5710
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
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
6999456	PubChem
ZINC000002026774	ZINC
SCHEMBL17038900	SureChEMBL
The data in this table is sourced from UniChem at EBI.