Dataset

Arbutin.hsqc

Chemical Info

molecular Image
InChI InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9+,10+,11+,12+/m1/s1
SMILES OC[C@H]1O[C@H](OC2=CC=C(O)C=C2)[C@@H](O)[C@@H](O)[C@H]1O
InChI Key BJRNKVDFDLYUGJ-DGORSVRFSA-N
Molecular Formula C12H16O7
Exact Mass 272.250 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p44.s264.d1535
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1535
Version
Author Corinna Dietrich, Viola Munzert, Klaus‐Peter Zeller, Hans‐Ullrich Siehl, Stefan Berger, Dieter Sicker
Maintainer
Language english
MetadataCreated 2024-04-22T16:12:09.444334
MetadataModified 2024-09-23T09:32:16.360597
MetadataPublished 2023-12-25 01:25:29
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
NMR solvent : MeOD

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001

Temperature : 300 K

magnetic field strength : 14.095010340939984 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hsqcedetgpsisp

Spectral Width : [8.01105353467655, 169.903212177977]

number of data points : 6 points

relaxation time measurement : 1 seconds