Dataset

sinensetin.hmbc

Chemical Info

molecular Image

InChI	InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
SMILES	COC1=C(OC)C=C(C2=CC(=O)C3=C(C=C(OC)C(OC)=C3OC)O2)C=C1
InChI Key	LKMNXYDUQXAUCZ-UHFFFAOYSA-N
Molecular Formula	C20H20O7
Exact Mass	372.400 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p29.s182.d777
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D777
Version
Author	Katrin Steinke, Elena Jose, Dieter Sicker, Hans-Ullrich Siehl, Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataCreated	2024-04-22T15:51:39.574044
MetadataModified	2024-04-22T15:51:39.574050
MetadataPublished	2023-12-21 14:12:48

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/13C-BB-D Z-GRD LTB Z5623/001 Temperature : 298 K irradiation frequency : 600.13 MHz , 150.902809 MHz magnetic field strength : 14.095010340939984 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : hmbcgpl2ndqf Spectral Width : 8.97790392555751 , 200.185272413218 number of data points : 4 points relaxation time measurement : 2 seconds