Dataset

carminic acid.cosy

Chemical Info

InChI	InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19?,20?,21+/m0/s1
SMILES	CC1=C(C(=O)O)C(O)=CC2=C1C(=O)C1=C(O)C([C@H]3O[C@@H](CO)[C@H](O)C(O)C3O)=C(O)C(O)=C1C2=O
InChI Key	DGQLVPJVXFOQEV-IVUQUTFQSA-N

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p25.s178.d756
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D756
Version
Author	Franziska Schulze, Juliane Titus, Peter Mettke, Stefan Berger, Hans-Ullrich Siehl, Klaus-Peter Zeller, Prof. Dr. Dieter Sicker
Maintainer
Language	english
MetadataCreated	2024-04-22T15:45:13.870849
MetadataModified	2024-04-22T15:45:13.870854
MetadataPublished	2023-12-21 13:51:02

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : D2O acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080 Temperature : 323 K irradiation frequency : 399.952 MHz , 399.952 MHz magnetic field strength : 9.3935106991479 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpqf Spectral Width : 10.0171804055553 , 10.0171804055553 number of data points : 4 points relaxation time measurement : 2 seconds