Dataset

Eserine.hsqc

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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p8.s48.d159
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D159
Version
Author
Maintainer
Language english
MetadataCreated 2024-04-22T16:42:58.254676
MetadataModified 2024-09-23T09:35:21.517812
MetadataPublished 2022-10-28 12:13:15
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
NMR solvent : CDCl3

acquisition nucleus : ['1H', '13C']

NMR spectrum by dimensionality : 2

NMR probe : Z116098_0551 (PA BBO 400S1 BBF-H-D-05 Z SP)

Temperature : 297.2165 K

magnetic field strength : 9.397691313082694 Tesla

number of scans : 8 scans

nuclear magnetic resonance pulse sequence : asap_hsqc_dept_400e

Spectral Width : [16.1029173256449, 220.846723012352]

number of data points : 2 points

relaxation time measurement : 0.1 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.