Dataset

beta Lactose.noesy

Chemical Info

InChI	InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3?,4-,5-,6-,7?,8?,9?,10+,11+,12-/m0/s1
SMILES	OCC1O[C@@H](O[C@H]2C(O)C(O)[C@H](O)O[C@H]2CO)C(O)[C@@H](O)[C@H]1O
InChI Key	GUBGYTABKSRVRQ-NXIVNNIUSA-N
Molecular Formula	C12H22O11
Exact Mass	342.300 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s249.d1442
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1442
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:21:38.833661
MetadataModified	2024-09-23T09:33:18.417608
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	n
Measurement Variables	NMR solvent : D2O acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 300 K magnetic field strength : 16.44413958677142 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesyetgp Spectral Width : [3.98509672558114, 4.00016430877547] number of data points : 7 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
70671195	PubChem
SCHEMBL12136503	SureChEMBL
The data in this table is sourced from UniChem at EBI.