Dataset

1H--1H correlation spectroscopy (1H-1H COSY)

dataset for 1H--1H correlation spectroscopy (1H-1H COSY)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C5H6N2O3/c1-2-10-5(8)4(3-6)7-9/h9H,2H2,1H3/b7-4+
SMILES CCOC(=O)/C(=N/O)/C#N
InChI Key LCFXLZAXGXOXAP-QPJJXVBHSA-N
Molecular Formula C5H6N2O3
Exact Mass 142.113 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/LCFXLZAXGXOXAP-QPJJXVBHSA-N/CHMO0001150
Version
Author Sylvia Vanderheiden-Schroen
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:20:50.791637
MetadataModified 2025-01-29T16:14:01.120473
MetadataPublished 2024-11-08
Related Molecule
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
temperature : 300.0 K

PULPROG : cosygpppqf

number of scans : 1 scans

title : SVS-CC01024

date : 20240304

starting time : 21.25 h

instrument : spect

label : SVS-2866

id : 297900

Solvent : MeOD

Data-Source Molecule ID Data-Source
6400537 PubChem
16093214 PubChem: Thomson Pharma
17720529 eMolecules
SCHEMBL498412 SureChEMBL
J296.696D Nikkaji
ZINC000006783737 ZINC
J217.715C Nikkaji
WITSIB CCDC
CB6234638 ChemicalBook
The data in this table is sourced from UniChem at EBI.