Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
SMILES Oc1ccc(cc1N)C(C)(C)C
InChI Key RPJUVNYXHUCRMG-UHFFFAOYSA-N
Molecular Formula C10H15NO
Exact Mass 165.232 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/RPJUVNYXHUCRMG-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/RPJUVNYXHUCRMG-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-04-26
Related Molecule
  • 2-amino-4-tert-butylphenol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL621595 SureChEMBL
    70982 PubChem
    1199-46-8 ACToR
    28021LMQ3D FDA SRS
    16093576 PubChem: Thomson Pharma
    487192 eMolecules
    MCULE-7201864777 Mcule
    20040391 NMRShiftDB
    CB6678553 ChemicalBook
    ZINC000003074877 ZINC
    CHEMBL1321329 ChEMBL
    DTXSID60152615 EPA CompTox Dashboard
    41210 BindingDB
    J31.051D Nikkaji
    The data in this table is sourced from UniChem at EBI.