Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
SMILES NCc1ccc(cc1)OC
InChI Key IDPURXSQCKYKIJ-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/IDPURXSQCKYKIJ-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-09
Related Molecule
  • (4-methoxyphenyl)methanamine
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    PZM PDBe
    CHEMBL12720 ChEMBL
    DTXSID2062371 EPA CompTox Dashboard
    50408784 BindingDB
    J101.237A Nikkaji
    ZINC000000157596 ZINC
    49837 ChEBI
    15120013 PubChem: Thomson Pharma
    SCHEMBL8755 SureChEMBL
    2393-23-9 ACToR
    526905 eMolecules
    20032298 NMRShiftDB
    75452 PubChem
    MCULE-1657332685 Mcule
    CB8326324 ChemicalBook
    62257 Brenda
    15412 Brenda
    The data in this table is sourced from UniChem at EBI.