Dataset

Allantofuranone (1155308-25-0).hsqc

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.d418
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D418
Version
Author Schüffler A, Kautz D, Liermann JC, Opatz T, Anke T.
Maintainer
Language english
MetadataCreated 2024-04-22T15:48:15.634978
MetadataModified 2024-05-15T08:13:28.493054
MetadataPublished 2022-10-29 10:40:50
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 Z8248/0157

Temperature : 294.3 K

irradiation frequency : 400.42 MHz , 100.685689 MHz

magnetic field strength : 9.404502425673087 Tesla

number of scans : 48 scans

nuclear magnetic resonance pulse sequence : hsqcedetgp

Spectral Width : 10.991924588612 , 165.519289057778

number of data points : [2048, 256] points

relaxation time measurement : 1.5 seconds