Dataset

beta Glucosamine Hydrochloride.cosy

Chemical Info

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-/m1/s1
SMILES	N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
InChI Key	MSWZFWKMSRAUBD-FPRJBGLDSA-N
Molecular Formula	C6H13NO5
Exact Mass	179.170 g/mol

Data and Resources

• beta Glucosamine Hydrochloride.cosyHTML
  Explore

  • More information
  • Go to resource

• correlation-spectro...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s236.d1357
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1357
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:48:12.980533
MetadataModified	2024-09-23T09:29:30.686055
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : D2O acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H-BB-D Z-GRD Z5627/001 Temperature : 298 K magnetic field strength : 9.3935106991479 Tesla number of scans : 2 scans nuclear magnetic resonance pulse sequence : cosygpqf Spectral Width : [4.00687505584003, 4.00014404422715] number of data points : 3 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
7048679	PubChem
ZINC000003830887	ZINC
SCHEMBL17038901	SureChEMBL
The data in this table is sourced from UniChem at EBI.