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
2326	drugcentral
The data in this table is sourced from UniChem at EBI.