Dataset

butyl acrylate[13]

This dataset contains NMR spectra obtained for the sample containing butyl acrylate

Chemical Information

molecular Image
InChI InChI=1S/C7H12O2/c1-3-5-6-9-7(8)4-2/h4H,2-3,5-6H2,1H3
SMILES C=CC(=O)OCCCC
InChI Key CQEYYJKEWSMYFG-UHFFFAOYSA-N
Molecular Formula C7H12O2
Exact Mass 128.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p135.s1379.d6056
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D6056
Version
Author
Maintainer
Language english
MetadataPublished 2025-09-22T23:07:00.000000Z
Related Molecule
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 PATXI 1H/D-13C/15N Z-GRD Z855801/0014', '09']

Temperature : [300, 300] K

magnetic field strength : 14.095010308659894 Tesla

number of scans : [64, 16] scans

nuclear magnetic resonance pulse sequence : ['hsqcedetgp', 'hxco']

Spectral Width : [7.49235686957435, 165.657191919706]

number of data points : [1024, 256] points

relaxation time measurement : 1.450029 seconds

Data-Source Molecule ID Data-Source
CHEBI:3245 chebi
CHEMBL1546388 chembl
15037 surechembl
8846 pubchem
705NM8U35V fdasrs
QAZYEV CCDC
HMDB0249474 hmdb
Molport-001-781-476 molport
The data in this table is sourced from UniChem at EBI.