Dataset

Arbutin.hmbc

Chemical Info

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

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p44.s264.d1537
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1537
Version
Author	Corinna Dietrich, Viola Munzert, Klaus‐Peter Zeller, Hans‐Ullrich Siehl, Stefan Berger, Dieter Sicker
Maintainer
Language	english
MetadataCreated	2024-04-22T16:11:58.943315
MetadataModified	2024-09-23T09:32:15.278128
MetadataPublished	2023-12-25 01:25:29

Field	Value
Measurement Technique	heteronuclear multiple bond 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 : 32 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : [8.01105353467655, 169.903042289205] number of data points : 5 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
6540820	PubChem
The data in this table is sourced from UniChem at EBI.