Dataset

3_NMR_DMSO-d6-1.hsqc

Chemical Info

molecular Image

InChI	InChI=1S/C21H20O6/c1-11(2)4-6-13-15(22)9-17(24)19-20(25)14(10-27-21(13)19)12-5-7-18(26-3)16(23)8-12/h4-5,7-10,22-24H,6H2,1-3H3
SMILES	COC1=CC=C(C2=COC3=C(CC=C(C)C)C(O)=CC(O)=C3C2=O)C=C1O
InChI Key	BUASMDFAABXGMH-UHFFFAOYSA-N
Molecular Formula	C21H20O6
Exact Mass	368.400 g/mol

Data and Resources

3_NMR_DMSO-d6-1.hsqcHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p55.s284.d1663
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1663
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:12:28.177903
MetadataModified	2024-05-15T08:29:24.557139
MetadataPublished	2024-01-16 10:27:41

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : Z116098_0775 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 298.0963 K irradiation frequency : 400.33 MHz , 100.663058566 MHz magnetic field strength : 9.40238863211055 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : 13.0100193387127 , 179.95030376002 number of data points : 3 points relaxation time measurement : 1.5 seconds