Dataset

4_NMR_DMSO-d6-1.hsqc

Chemical Info

molecular Image

InChI	InChI=1S/C20H20O6/c1-20(2,25)8-7-13-15(22)9-16(23)17-18(24)14(10-26-19(13)17)11-3-5-12(21)6-4-11/h3-6,9-10,21-23,25H,7-8H2,1-2H3
SMILES	CC(C)(O)CCC1=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C(O)C=C1O
InChI Key	ZKEHDQGXEYXKFI-UHFFFAOYSA-N
Molecular Formula	C20H20O6
Exact Mass	356.400 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p55.s286.d1673
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1673
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:17:22.285343
MetadataModified	2024-05-15T08:33:33.243299
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 : 295.125 K irradiation frequency : 400.33 MHz , 100.663058566 MHz magnetic field strength : 9.40238863211055 Tesla number of scans : 2 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.3 Spectral Width : 13.0100193387127 , 170.091033599436 number of data points : 9 points relaxation time measurement : 1.5 seconds