Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)O)N
InChI Key HCPJEHJGFKWRFM-UHFFFAOYSA-N
Molecular Formula C7H9NO
Exact Mass 123.152 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HCPJEHJGFKWRFM-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/HCPJEHJGFKWRFM-UHFFFAOYSA-N/CHMO0001150
Version
Author Grace Hunt
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-08-07
Related Molecule
  • 2-amino-5-methylphenol
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MASZOW CCDC
    76082 PubChem
    20040392 NMRShiftDB
    SCHEMBL33821 SureChEMBL
    MCULE-9380082051 Mcule
    J13.777D Nikkaji
    ZINC000000388270 ZINC
    52290 Brenda
    CB8116646 ChemicalBook
    DTXSID20182594 EPA CompTox Dashboard
    481965 eMolecules
    15321292 PubChem: Thomson Pharma
    QCG4ES2A26 FDA SRS
    2835-98-5 ACToR
    The data in this table is sourced from UniChem at EBI.