Dataset

beta Lactose.hsqc

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s249.d1445
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1445
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2023-12-24 21:57:47
Related Molecule
  • (3R,4S,6S)-2-(hydroxymethyl)-6-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
    • 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 CPTCI 1H-13C/15N/2H Z-GRD Z44908/0006

    Temperature : 300 K

    magnetic field strength : 16.44413958677142 Tesla

    number of scans : 2 scans

    nuclear magnetic resonance pulse sequence : hsqcedetgpsp

    Spectral Width : [3.98509672558114, 59.9752682539369]

    number of data points : 8 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.