Dataset

ethyl (E)-but-2-enoate[2]

This dataset contains NMR spectra obtained for the sample containing ethyl (E)-but-2-enoate

Chemical Information

molecular Image

InChI	InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3+
SMILES	C/C=C/C(=O)OCC
InChI Key	ZFDIRQKJPRINOQ-HWKANZROSA-N
Molecular Formula	C6H10O2
Exact Mass	114.140 g/mol

Data and Resources

ethyl (E)-but-2-enoate[2]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p141.s1385.d6098
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6098
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-26T13:37:35.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm BBI 1H-BB-D Z-GRD LTB Z5542/0003 Temperature : 298 K magnetic field strength : 11.74456180452723 Tesla number of scans : 3072 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 194.879009015822 number of data points : 65536 points relaxation time measurement : 2.5 seconds

Data-Source Molecule ID	Data-Source
CHEBI:173393	chebi
CHEMBL3273403	chembl
182296	surechembl
429065	pubchem
99YUC7A1X1	fdasrs
Molport-001-784-290	molport
The data in this table is sourced from UniChem at EBI.