Dataset

400 MHz[Pseudoephedrine-400 MHz]

This dataset contains NMR spectra obtained for the sample -400 MHz name: Ephedrine-400 MHz phc0: 60.4372228256 isFid: true nucleus: 1H solvent: cd3od dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.851178143 spectralWidth: 16.031605658962146 numberOfPoints: 32051 frequencyOffset: 2057.0569999449617 originFrequency: 399.8532352 name: Pseudoephedrine-400 MHz phc0: 61.7624055619 isFid: true nucleus: 1H solvent: cd3od dimension: 1 isComplex: true temperature: 25 baseFrequency: 399.851178143 spectralWidth: 16.031605658962146 numberOfPoints: 32051 frequencyOffset: 2057.0569999449617 originFrequency: 399.8532352

Chemical Information

InChI	InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1
SMILES	CN[C@@H](C)[C@@H](O)C1=CC=CC=C1
InChI Key	KWGRBVOPPLSCSI-WCBMZHEXSA-N

Data and Resources

400 MHz[Pseudoephedrine-400 MHz]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p120.s1242.d5334
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D5334
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-30T11:12:27.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : cd3od acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : 25 K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : 16.031605658962146 number of data points : 32051 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
DB00852	drugbank
CHEBI:51209	chebi
CHEMBL1590	chembl
4368	surechembl
7028	pubchem
7CUC9DDI9F	fdasrs
PD009687	probes_and_drugs
PSEPED	CCDC
262602	brenda
262773	brenda
40746	brenda
90218	brenda
HMDB0001943	hmdb
2326	drugcentral
The data in this table is sourced from UniChem at EBI.