Dataset

N-Ac-Trp-OEt, 2382-80-1.hmqc

Chemical Info

InChI	InChI=1S/C15H18N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16H,3,8H2,1-2H3,(H,17,18)/t14-/m0/s1
SMILES	CCOC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(C)=O
InChI Key	KQGQONPKSKUHHT-AWEZNQCLSA-N
Molecular Formula	C15H18N2O3
Exact Mass	274.310 g/mol

Data and Resources

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Metadata Information

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Field	Value
DOI	10.57992/nmrxiv.p12.s78.d458
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D458
Version
Author	Mohr J, Porwal D, Chatterjee I, Oestreich M.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:31:53.367982
MetadataModified	2024-05-15T08:02:03.850052
MetadataPublished	2022-11-09 09:57:24

Field	Value
Measurement Technique	heteronuclear multiple quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : 5 mm PATXI 1H/19F/D-13C/15N Z-GRD Z129262/0001 Temperature : 298.1193 K irradiation frequency : 700.17 MHz , 176.057887 MHz magnetic field strength : 16.444609318674203 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : hmqcgpqf Spectral Width : 12.0220202418855 , 230.868038205294 number of data points : 19 points relaxation time measurement : 1.5 seconds