Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C 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/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/DZGWFCGJZKJUFP-UHFFFAOYSA-N/CHMO0000595
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-07-16
Related Molecule
  • 4-(2-aminoethyl)phenol
    • Field Value
    Measurement Technique 13C 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
    HMDB0000306 hmdb
    2784 drugcentral
    29135 bindingdb
    The data in this table is sourced from UniChem at EBI.