Dataset

N-phenylpropanamide[6]

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[6]HTML

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p142.s1386.d6102
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6102
Version
Author
Maintainer
Language	english
MetadataPublished	2025-09-26T13:54:44.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : ['5 mm BBI 1H-BB-D Z-GRD LTB Z5542/0003', None] Temperature : [283, 300] K magnetic field strength : 11.746350800110099 Tesla number of scans : [4, 16] scans nuclear magnetic resonance pulse sequence : ['hmbcgplpndqf', 'mlevtp'] Spectral Width : [9.18874585273666, 219.943537888577] number of data points : [1024, 256] points relaxation time measurement : 1.2 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.