Dataset

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

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

Chemical Info

molecular Image
InChI InChI=1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H
SMILES O=Cc1ccccn1
InChI Key CSDSSGBPEUDDEE-UHFFFAOYSA-N
Molecular Formula C6H5NO
Exact Mass 107.110 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/CSDSSGBPEUDDEE-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-22
Related Molecule
  • pyridine-2-carbaldehyde
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14273 PubChem
    124200 Brenda
    73012 ChEBI
    26445-06-7 ACToR
    1121-60-4 ACToR
    531226 eMolecules
    CB0153722 ChemicalBook
    145255 Brenda
    148928 Brenda
    7490 Brenda
    30571 Brenda
    98200 Brenda
    34544 Brenda
    34463 Brenda
    30369 Brenda
    174038 Brenda
    58055 Brenda
    10008795 NMRShiftDB
    MCULE-4937131604 Mcule
    SCHEMBL55278 SureChEMBL
    HMDB0245308 Human Metabolome Database
    ZINC000000158582 ZINC
    J28.014C Nikkaji
    DTXSID1061522 EPA CompTox Dashboard
    15146425 PubChem: Thomson Pharma
    CHEMBL274794 ChEMBL
    The data in this table is sourced from UniChem at EBI.