Dataset

9_11_NMR_Methanol-d4-1.hsqc

Chemical Info

InChI	InChI=1S/C21H20O7/c1-21(2,25)17-7-11-15(28-17)8-14(23)18-19(24)12(9-27-20(11)18)10-4-5-13(22)16(6-10)26-3/h4-6,8-9,17,22-23,25H,7H2,1-3H3
SMILES	COC1=CC(C2=COC3=C4CC(C(C)(C)O)OC4=CC(O)=C3C2=O)=CC=C1O
InChI Key	HYVIXVFOOCXSPL-UHFFFAOYSA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p55.s292.d1697
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1697
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:17:41.582838
MetadataModified	2025-02-03T15:50:45.880437
MetadataPublished	2024-01-16 10:27:41
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : MeOD 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 : 11 points relaxation time measurement : 1.5 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.