Dataset

6_NMR_Methanol-d4-1.hsqc

Chemical Info

molecular Image

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

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p55.s278.d1634
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1634
Version
Author	Çiçek SS, Galarza Pérez M, Wenzel-Storjohann A, Bezerra RM, Segovia JFO, Girreser U, Kanzaki I, Tasdemir D.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:10:58.531525
MetadataModified	2024-05-15T08:28:22.725951
MetadataPublished	2024-01-16 10:27:41

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