Dataset

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

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

Chemical Information

molecular Image
InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
SMILES N1CCc2c(C1)cccc2
InChI Key UWYZHKAOTLEWKK-UHFFFAOYSA-N
Molecular Formula C9H11N
Exact Mass 133.190 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/UWYZHKAOTLEWKK-UHFFFAOYSA-N/CHMO0001150
License URL
Source https://www.chemotion-repository.net/inchikey/UWYZHKAOTLEWKK-UHFFFAOYSA-N/CHMO0001150
Version
Author Jana Alpin
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-04-10
Related Molecule
  • 1,2,3,4-tetrahydroisoquinoline
    • Field Value
    Measurement Technique 1H–1H correlation spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    13016 BindingDB
    LSM-37002 LINCS
    125498 ChEBI
    DTXSID6026115 EPA CompTox Dashboard
    J4.337K Nikkaji
    247670 Brenda
    CHEMBL14346 ChEMBL
    SCHEMBL19085 SureChEMBL
    PD093781 ProbesDrugs
    7046 PubChem
    15219017 PubChem: Thomson Pharma
    91-21-4 ACToR
    532104 eMolecules
    CB5126507 ChemicalBook
    4460 Brenda
    HMDB0012489 Human Metabolome Database
    ZINC000003860771 ZINC
    2CK PDBe
    10016184 NMRShiftDB
    56W89FBX3E FDA SRS
    MCULE-1879569263 Mcule
    The data in this table is sourced from UniChem at EBI.