Dataset

Caffeic acid 400 MHz in DMSOd6 NMR data.cosy

NMR data of caffeic acid in DMSOd6. The dataset contains 1D 1H 13C as well as 2D COSY, HSQC, HMBC, all acquired at 400 MHz (Jeol 400 MHz spectrometer with Royal Probe) (2019-10-06)

https://doi.org/10.7910/DVN/4U11FG, Harvard Dataverse, V1

Chemical Info

molecular Image
InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
SMILES O=C(O)/C=C/C1=CC(O)=C(O)C=C1
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
Exact Mass 180.160 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s189.d842
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D842
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-04-22T16:55:15.533222
MetadataModified 2024-05-15T09:40:31.335522
MetadataPublished 2023-12-21 14:26:13
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : DMSO-D6

acquisition nucleus : 1H , 1H

NMR spectrum by dimensionality : 2

NMR probe :

Temperature : K

magnetic field strength : Tesla

number of scans : scans

nuclear magnetic resonance pulse sequence : cosy_pfg.jxp

Spectral Width :

number of data points : points

relaxation time measurement : seconds