Dataset

Catechin annotated NMR 400 MHz DMSOd6 data.2d

NMR data for Catechin Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC Spin parameters for 1H and chemical shifts of carbon Attributed 1H, 13C spectra

https://doi.org/10.7910/DVN/LTPMJH, Harvard Dataverse, V1

Chemical Info

molecular Image
InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
SMILES OC1=CC2=C(C[C@H](O)[C@@H](C3=CC=C(O)C(O)=C3)O2)C(O)=C1
InChI Key PFTAWBLQPZVEMU-DZGCQCFKSA-N
Molecular Formula C15H14O6
Exact Mass 290.270 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s211.d1113
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D1113
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T17:00:32.525642
MetadataModified 2024-04-22T17:00:32.525647
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique 2
Measurement Variables
NMR solvent : DMSO-D6

acquisition nucleus : 1H , 13C

NMR spectrum by dimensionality : 2

NMR probe : 2774

Temperature : 298.15 K

irradiation frequency : 399.79256015247455 MHz , 100.54933803934405 MHz

magnetic field strength : 9.389766 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hsqc_dec_en.jxp

Spectral Width : 13.761894815973884 , 170.1050644511075

number of data points : 4096 points

relaxation time measurement : 1.5 seconds