Dataset

beta Lactose.c13

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

• beta Lactose.c13HTML
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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p42.s249.d1443
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1443
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataCreated	2024-04-22T16:22:05.058196
MetadataModified	2024-09-23T09:33:22.718731
MetadataPublished	2023-12-24 21:57:47

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : D2O acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006 Temperature : 298 K magnetic field strength : 16.440636731038314 Tesla number of scans : 1024 scans nuclear magnetic resonance pulse sequence : zgdc Spectral Width : 99.9949770466792 number of data points : 19 points relaxation time measurement : 2 seconds

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