Dataset

Pseudoephedrine-80 MHz[nmr_fid.dx]

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-WPRPVWTQSA-N

Data and Resources

• Pseudoephedrine-80 MHz[nmr_fid.dx]HTML
  Go to source

• __

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p120.s1240.d5331
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D5331
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-30T11:12:27.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Temperature : K magnetic field strength : 1.879856157990588 Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : 62.46913 number of data points : 32768 points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
J9.314I	Nikkaji
247103	Brenda
EPHEDR	CCDC
MCULE-1217859840	Mcule
DTXSID0022985	EPA CompTox Dashboard
1024	DrugCentral
ZINC000000074836	ZINC
EPHEDRINE	DailyMed
EPHEDRINE HYDROCHLORIDE	clinicaltrials
EPHEDRINE SULFATE	clinicaltrials
EPHEDRINE HYDROCHLORIDE	rxnorm
EPHEDRINE SULFATE	rxnorm
AKOVAZ	rxnorm
EPHEDRINE	clinicaltrials
EPHEDRINE	rxnorm
CORPHEDRA	rxnorm
15219436	PubChem: Thomson Pharma
556	Guide to Pharmacology
15407	ChEBI
DB01364	DrugBank
C01575	KEGG Ligand
CHEMBL211456	ChEMBL
ephedrine	DailyMed
HMDB0015451	Human Metabolome Database
90189	Brenda
63172	Brenda
19817	Brenda
204497	Brenda
PA449466	PharmGKB
MTBLC15407	Metabolights
SCHEMBL4785	SureChEMBL
GN83C131XS	FDA SRS
PD009531	ProbesDrugs
60032445	NMRShiftDB
15147083	PubChem: Thomson Pharma
9294	PubChem
480929	eMolecules
The data in this table is sourced from UniChem at EBI.