Dataset

correlation spectroscopy (COSY)

dataset for correlation spectroscopy (COSY)

Chemical Information

molecular Image
InChI InChI=1S/C9H13NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H,1-3H3
SMILES O=C(n1cccc1)OC(C)(C)C
InChI Key IZPYBIJFRFWRPR-UHFFFAOYSA-N
Molecular Formula C9H13NO2
Exact Mass 167.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IZPYBIJFRFWRPR-UHFFFAOYSA-N/CHMO0000599
License URL
Source https://www.chemotion-repository.net/inchikey/IZPYBIJFRFWRPR-UHFFFAOYSA-N/CHMO0000599
Version
Author Fabian Schönle
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-26
Related Molecule
  • tert-butyl pyrrole-1-carboxylate
    • Field Value
    Measurement Technique correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    20037383 NMRShiftDB
    643494 PubChem
    J392.609E Nikkaji
    DTXSID30349196 EPA CompTox Dashboard
    ZINC000000396082 ZINC
    CB4315199 ChemicalBook
    SCHEMBL421871 SureChEMBL
    5176-27-2 ACToR
    16081317 PubChem: Thomson Pharma
    507147 eMolecules
    The data in this table is sourced from UniChem at EBI.