Dataset

Pseudopelletierin.cosy

Chemical Info

molecular Image
InChI InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3
SMILES CN1C2CCCC1CC(=O)C2
InChI Key RHWSKVCZXBAWLZ-UHFFFAOYSA-N
Molecular Formula C9H15NO
Exact Mass 153.220 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p46.s266.d1560
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D1560
Version
Author Georg Heß, Peter Haiss, Dorothee Wistuba, Prof. Dr. Hans-Ullrich Siehl, Prof. Dr. Stefan Berger, Prof. Dr. Dieter Sicker, Prof. Dr. Klaus-Peter Zeller
Maintainer
Language english
MetadataCreated 2024-04-22T15:59:49.456133
MetadataModified 2024-09-23T09:30:52.066870
MetadataPublished 2023-12-25 01:55:15
Field Value
Measurement Technique correlation spectroscopy
Measurement Variables
NMR solvent : D2O

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

NMR spectrum by dimensionality : 2

NMR probe : 5 mm BBO BB-1H-D Z-GRD Z8248/080

Temperature : 298 K

magnetic field strength : 9.3935106991479 Tesla

number of scans : 2 scans

nuclear magnetic resonance pulse sequence : cosygpqf

Spectral Width : [8.01375011168008, 7.99964816779453]

number of data points : 4 points

relaxation time measurement : 1 seconds

Data-Source Molecule ID Data-Source
MolPort-000-157-929 MolPort
J14.215H Nikkaji
MCULE-4596962992 Mcule
60001976 NMRShiftDB
HMDB0034580 Human Metabolome Database
CB0243920 ChemicalBook
CHEMBL2219893 ChEMBL
11096 PubChem
552-70-5 ACToR
SCHEMBL551145 SureChEMBL
PD053436 ProbesDrugs
LSM-1370 LINCS
C10865 KEGG Ligand
29541937 eMolecules
The data in this table is sourced from UniChem at EBI.