Dataset

NMR_Bruker-FID.hsqc

This dataset contains NMR spectra obtained for the sample NMR_Bruker-FID date: 2011-06-28.

Chemical Info

molecular Image

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+/m1/s1
SMILES	CC1=C2C(=O)C3=C(C(=O)C2=CC(O)=C1C(=O)O)C(O)=C(O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C3O
InChI Key	DGQLVPJVXFOQEV-JNVSTXMASA-N
Molecular Formula	C22H20O13
Exact Mass	492.400 g/mol

Data and Resources

NMR_Bruker-FID.hsqcHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p17.s274.d1607
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D1607
Version
Author	Franziska Schulze, Juliane Titus, Peter Mettke, Stefan Berger, Hans-Ullrich Siehl, Klaus-Peter Zeller, Dieter Sicker.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:27:51.888519
MetadataModified	2024-05-15T08:46:53.314273
MetadataPublished	2024-01-02 13:53:30

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C 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 , 100.56801 MHz magnetic field strength : 9.3935106991479 Tesla number of scans : 8 scans nuclear magnetic resonance pulse sequence : hsqcetgp Spectral Width : 10.0171804055553 , 160.108443431512 number of data points : 7 points relaxation time measurement : 2 seconds