Dataset

Allantofuranone (1155308-25-0).cosy

Datasets for Allantofuranone (1155308-25-0)

Chemical Info

molecular Image
InChI InChI=1S/C19H16O5/c1-23-19(12-15(20)13-8-4-2-5-9-13)16(17(21)18(22)24-19)14-10-6-3-7-11-14/h2-11,21H,12H2,1H3
SMILES COC1(CC(=O)C2=CC=CC=C2)OC(=O)C(O)=C1C1=CC=CC=C1
InChI Key ZSQDINYGPVLTCM-UHFFFAOYSA-N
Molecular Formula C19H16O5
Exact Mass 324.300 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p11.s72.d419
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D419
Version
Author Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T.
Maintainer
Language english
MetadataCreated 2024-04-22T16:46:33.905444
MetadataModified 2024-09-23T09:35:41.709888
MetadataPublished 2022-10-29 10:40:50
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '1H']

NMR spectrum by dimensionality : 2

NMR probe : 5 mm BBO BB-1H/D Z-GRD Z8248/0157

Temperature : 294.3 K

magnetic field strength : 9.404502425673087 Tesla

number of scans : 16 scans

nuclear magnetic resonance pulse sequence : cosygpmfqf.hko

Spectral Width : [10.0054748677776, 10.0054748677776]

number of data points : [2048, 256] points

relaxation time measurement : 1.5 seconds