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/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
SMILES COC(=O)c1cc(N)cc(c1)C(=O)OC
InChI Key DEKPYXUDJRABNK-UHFFFAOYSA-N
Molecular Formula C10H11NO4
Exact Mass 209.199 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DEKPYXUDJRABNK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/DEKPYXUDJRABNK-UHFFFAOYSA-N/CHMO0001150
Version
Author Alex Johnson
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T04:22:23.610597
MetadataModified 2024-09-08T04:22:23.610603
MetadataPublished 2024-08-07
Field Value
Measurement Technique 1H–1H correlation spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
20209748 NMRShiftDB
MCULE-3703634579 Mcule
66831 PubChem
SCHEMBL111187 SureChEMBL
50891-97-9 ACToR
CHEMBL4990241 ChEMBL
536935 eMolecules
99-27-4 ACToR
CB5445316 ChemicalBook
ZINC000000057151 ZINC
POHDAV CCDC
DTXSID2059190 EPA CompTox Dashboard
J76.331D Nikkaji
The data in this table is sourced from UniChem at EBI.