Dataset

4-Methoxybutyric acid methyl ester[255]

This dataset contains NMR spectra obtained for the sample containing 4-Methoxybutyric acid methyl ester

Chemical Information

molecular Image

InChI	InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3
SMILES	COCCCC(=O)OC
InChI Key	VHDGWXQBVWAMJA-UHFFFAOYSA-N
Exact Mass	132.160 g/mol

Data and Resources

4-Methoxybutyric acid methyl ester[255]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p133.s1360.d5997
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5997
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-20T19:34:11.000000Z
Related Molecule

Field	Value
Measurement Technique	correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '1H'] NMR spectrum by dimensionality : 2 NMR probe : 5 mm PADUL 13C-1H/D Z-GRD Z565301/0001 Temperature : 300.5243 K magnetic field strength : 5.874702028735606 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : cosygpmfph Spectral Width : [4.00431599289924, 4] number of data points : [2048, 128] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
510177	eMolecules
542317	PubChem
16483599	PubChem: Thomson Pharma
CB0277336	ChemicalBook
40265967	NMRShiftDB
SCHEMBL907647	SureChEMBL
ZINC000002564816	ZINC
J108.718E	Nikkaji
DTXSID00337383	EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.