Dataset

Ethyl-2-acetamido-3-(4-allyloxyphenyl)propanoate.aptjmod

Chemical Info

InChI	InChI=1S/C16H21NO4/c1-4-10-21-14-8-6-13(7-9-14)11-15(17-12(3)18)16(19)20-5-2/h4,6-9,15H,1,5,10-11H2,2-3H3,(H,17,18)
SMILES	C=CCOC1=CC=C(CC(NC(C)=O)C(=O)OCC)C=C1
InChI Key	MBTNHLBOGYEUJA-UHFFFAOYSA-N
Molecular Formula	C16H21NO4
Exact Mass	291.340 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p12.s77.d451
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D451
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:47:15.803501
MetadataModified	2024-09-23T09:35:43.961749
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	aptjmod
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['13C'] NMR spectrum by dimensionality : 1 NMR probe : 5 mm DUL 13C-1H/2H Z-GRD Z8246/00076 Temperature : 294.4 K magnetic field strength : 9.395924247896135 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : jmod Spectral Width : 238.8883366608 number of data points : 71 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
14632355	PubChem
SCHEMBL8260495	SureChEMBL
The data in this table is sourced from UniChem at EBI.