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

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.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
C02765 KEGG Ligand
CHEMBL1590 ChEMBL
DB00852 DrugBank
51209 ChEBI
PSEUDOEPHEDRINE DailyMed
PSEPED CCDC
PSEUDOEPHEDRINE POLISTIREX rxnorm
PSEUDOEPHEDRINE SULFATE rxnorm
PSEUDOEPHEDRINE HYDROCHLORIDE rxnorm
PSEUDOEPHEDRINE rxnorm
PSEUDOEPHEDRINE clinicaltrials
PSEUDOEPHEDRINE HYDROCHLORIDE clinicaltrials
PSEUDOEPHEDRINE SULFATE clinicaltrials
SUDAFED clinicaltrials
EFIDAC 24 clinicaltrials
DTXSID0023537 EPA CompTox Dashboard
2326 DrugCentral
ZINC000000020259 ZINC
7286 Guide to Pharmacology
J10.171K Nikkaji
SUDAFED rxnorm
MCULE-5756045923 Mcule
90218 Brenda
HMDB0001943 Human Metabolome Database
40746 Brenda
MTBLC51209 Metabolights
pseudoephedrine DailyMed
7028 PubChem
60032444 NMRShiftDB
PD009687 ProbesDrugs
7CUC9DDI9F FDA SRS
15120370 PubChem: Thomson Pharma
SCHEMBL4368 SureChEMBL
304-87-0 ACToR
PA451170 PharmGKB
LSM-3885 LINCS
494893 eMolecules
The data in this table is sourced from UniChem at EBI.