Dataset

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

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

Field	Value
DOI	10.57992/nmrxiv.p12.s77.d449
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D449
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T16:31:16.635212
MetadataModified	2024-05-15T08:52:08.116652
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm DUL 13C-1H/2H Z-GRD Z8246/00076 , 09 Temperature : [293.8, 300] K irradiation frequency : 400.14 MHz , 100.615283 MHz magnetic field strength : 9.397926179034085 Tesla number of scans : [2, 16] scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp.2 , hxco Spectral Width : 10.9996162437447 , 210.102205053263 number of data points : 4 points relaxation time measurement : 1.5 seconds