Dataset

7_NMR_Methanol-d4-1.c13

Chemical Info

InChI	InChI=1S/C21H22O7/c1-21(2,26)7-6-12-14(22)9-16(24)18-19(25)13(10-28-20(12)18)11-4-5-17(27-3)15(23)8-11/h4-5,8-10,22-24,26H,6-7H2,1-3H3
SMILES	COC1=CC=C(C2=COC3=C(CCC(C)(C)O)C(O)=CC(O)=C3C2=O)C=C1O
InChI Key	NTQLDHPJSKJOIB-UHFFFAOYSA-N
Molecular Formula	C21H22O7
Exact Mass	386.400 g/mol

Data and Resources

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Metadata Information

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• Measurement
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Field	Value
DOI	10.57992/nmrxiv.p55.s293.d1700
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1700
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:15:47.969544
MetadataModified	2024-09-23T09:32:42.557080
MetadataPublished	2024-01-16 10:27:41

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 : 111 points relaxation time measurement : 2 seconds

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