Dataset

Eserine.tocsy

A sample containing Eserine

Chemical Info

molecular Image

InChI	InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)
SMILES	CNC(=O)OC1=CC2=C(C=C1)N(C)C1N(C)CCC21C
InChI Key	PIJVFDBKTWXHHD-UHFFFAOYSA-N
Molecular Formula	C15H21N3O2
Exact Mass	275.350 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p8.s48.d169
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D169
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:42:48.197168
MetadataModified	2024-05-15T09:14:42.416349
MetadataPublished	2022-10-28 12:13:15

Field	Value
Measurement Technique	total correlation spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : Z116098_0551 (PA BBO 400S1 BBF-H-D-05 Z SP) Temperature : 297.031 K irradiation frequency : 400.13 MHz , 400.13 MHz magnetic field strength : 9.397691313082694 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : mlevphpp Spectral Width : 13.9879072888438 , 13.9931286054876 number of data points : 10 points relaxation time measurement : 2 seconds