Dataset

623-70-1.hsqc

623-70-1

Chemical Info

molecular Image
InChI InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3
SMILES CC=CC(=O)OCC
InChI Key ZFDIRQKJPRINOQ-UHFFFAOYSA-N
Molecular Formula C6H10O2
Exact Mass 114.140 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s63.d300
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D300
Version
Author
Maintainer
Language english
MetadataCreated 2024-04-22T16:41:37.998051
MetadataModified 2024-05-15T09:12:24.625835
MetadataPublished 2022-10-28 13:30:58
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 TBI 1H/31P/D-BB Z-GRD Z8704/0003

Temperature : 298.1 K

irradiation frequency : 600.2 MHz , 150.92041 MHz

magnetic field strength : 14.096654402599738 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : hsqcedetgp

Spectral Width : 9.38121720071376 , 190

number of data points : [1024, 256] points

relaxation time measurement : 3 seconds