Dataset

9_11_NMR_Methanol-d4-1.c13

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.d1695
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1695
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:14:25.478377
MetadataModified	2025-02-03T15:48:18.094433
MetadataPublished	2024-01-16 10:27:41
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : MeOD acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : Z116098_0775 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 294.9201 K magnetic field strength : 9.400385753004025 Tesla number of scans : 1400 scans nuclear magnetic resonance pulse sequence : udeft Spectral Width : 238.773764433498 number of data points : 7 points relaxation time measurement : 2 seconds

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