Dataset

N-phenylpropanamide[2]

This dataset contains NMR spectra obtained for the sample containing N-phenylpropanamide

Chemical Information

molecular Image

InChI	InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
SMILES	CCC(=O)NC1=CC=CC=C1
InChI Key	ZTHRQJQJODGZHV-UHFFFAOYSA-N
Molecular Formula	C9H11NO
Exact Mass	149.190 g/mol

Data and Resources

N-phenylpropanamide[2]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p142.s1386.d6100
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6100
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-26T13:54:44.000000Z
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm BBI 1H-BB-D Z-GRD LTB Z5542/0003 Temperature : 283 K magnetic field strength : 11.74456180452723 Tesla number of scans : 487 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 220.859969296446 number of data points : 65536 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
CHEMBL1870645	chembl
9706	surechembl
12107	pubchem
UYP5ZQI00T	fdasrs
HMDB0255232	hmdb
Molport-000-137-939	molport
The data in this table is sourced from UniChem at EBI.