Dataset

400 MHz[Ephedrine-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

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p120.s1242.d5333
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D5333
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
DTXSID0023537 comptox
NCT00179023 clinicaltrials
NCT00208065 clinicaltrials
NCT00223691 clinicaltrials
NCT00276016 clinicaltrials
NCT00377403 clinicaltrials
NCT00378144 clinicaltrials
NCT00648973 clinicaltrials
NCT00673062 clinicaltrials
NCT00704496 clinicaltrials
NCT00804687 clinicaltrials
NCT00881127 clinicaltrials
NCT00881634 clinicaltrials
NCT00963443 clinicaltrials
NCT01062360 clinicaltrials
NCT01085721 clinicaltrials
NCT01131728 clinicaltrials
NCT01131767 clinicaltrials
NCT01133470 clinicaltrials
NCT01133483 clinicaltrials
NCT01177852 clinicaltrials
NCT01177852 clinicaltrials
NCT01306721 clinicaltrials
NCT01373138 clinicaltrials
NCT01393548 clinicaltrials
NCT01506791 clinicaltrials
NCT01509209 clinicaltrials
NCT01577459 clinicaltrials
NCT01586962 clinicaltrials
NCT01925729 clinicaltrials
NCT02082054 clinicaltrials
NCT02082054 clinicaltrials
NCT02149901 clinicaltrials
NCT02182518 clinicaltrials
NCT02182531 clinicaltrials
NCT03184766 clinicaltrials
NCT03429738 clinicaltrials
NCT03644576 clinicaltrials
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NCT05720455 clinicaltrials
2326 drugcentral
The data in this table is sourced from UniChem at EBI.