Dataset

Eserine.1d

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

Eserine.1dHTML
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Metadata Information

Field	Value
DOI	10.57992/nmrxiv.p8.s48.d173
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D173
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:43:18.836063
MetadataModified	2024-09-23T09:35:23.523381
MetadataPublished	2022-10-28 12:13:15

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : CDCl3 acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z125869_0050 (CPP BBO 500S1 BB-H&F-D-05 Z) Temperature : 297.0004 K magnetic field strength : 11.747525156768303 Tesla number of scans : 16 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 21.731133315137 number of data points : 3 points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
MCULE-3610265172	Mcule
10709	BindingDB
J2.708.708F	Nikkaji
MolPort-004-955-150	MolPort
20054745	NMRShiftDB
4811	PubChem
PD071427	ProbesDrugs
16182158	PubChem: Thomson Pharma
57-47-6	ACToR
SCHEMBL24045	SureChEMBL
182905	ChEBI
CHEMBL11773	ChEMBL
1971450	eMolecules
The data in this table is sourced from UniChem at EBI.