Dataset

Chitosamine.hsqc

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+/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.hsqcHTML
  Explore

  • More information
  • Go to resource

• heteronuclear-singl...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s254.d1474
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1474
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T15:53:29.378924
MetadataModified	2024-09-23T09:30:06.950544
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : D2O acquisition nucleus : ['1H', '13C'] 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 : hsqcetgp Spectral Width : [4.00687505584003, 79.9905375337287] number of data points : 8 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
6999456	PubChem
ZINC000002026774	ZINC
SCHEMBL17038900	SureChEMBL
The data in this table is sourced from UniChem at EBI.