Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
SMILES NCCc1ccc(cc1)O
InChI Key DZGWFCGJZKJUFP-UHFFFAOYSA-N
Molecular Formula C8H11NO
Exact Mass 137.179 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0000593
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-16
Related Molecule
  • 4-(2-aminoethyl)phenol
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB08841 drugbank
    CHEBI:15760 chebi
    AEF rcsb_pdb
    CHEMBL11608 chembl
    4111 surechembl
    5610 pubchem
    X8ZC7V0OX3 fdasrs
    2148 gtopdb
    2150 gtopdb
    PD002144 probes_and_drugs
    SENJEC CCDC
    142674 brenda
    189545 brenda
    22261 brenda
    280 brenda
    48679 brenda
    7267 brenda
    AEF - Ideal conformer pdbe
    HMDB0000306 hmdb
    2784 drugcentral
    29135 bindingdb
    The data in this table is sourced from UniChem at EBI.