Dataset

600 MHz[PseudoephedrineHCl-600 MHz.jdf]

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

• 600 MHz[PseudoephedrineHCl-600 MHz.jdf]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p120.s1239.d5330
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D5330
Version
Author
Maintainer
Language	english
MetadataPublished	2025-03-30T11:12:27.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : METHANOL-D4 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : 2803 Temperature : 298.15 K magnetic field strength : 14.086974412271225 Tesla number of scans : 32 scans nuclear magnetic resonance pulse sequence : single_pulse_dec Spectral Width : 21.31006380825198 number of data points : 63728 points relaxation time measurement : 30 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
NCT04332211	clinicaltrials
NCT05720455	clinicaltrials
2326	drugcentral
The data in this table is sourced from UniChem at EBI.