Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

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/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/UWYZHKAOTLEWKK-UHFFFAOYSA-N/CHMO0001148
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–13C heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:125498 chebi
    2CK rcsb_pdb
    CHEMBL14346 chembl
    19085 surechembl
    29360217 surechembl
    7046 pubchem
    56W89FBX3E fdasrs
    PD093781 probes_and_drugs
    247670 brenda
    4460 brenda
    HMDB0012489 hmdb
    23425 bindingdb
    312209 bindingdb
    50034939 bindingdb
    50035375 bindingdb
    50083559 bindingdb
    50087057 bindingdb
    50087071 bindingdb
    50087081 bindingdb
    50087300 bindingdb
    50135376 bindingdb
    50139843 bindingdb
    50143777 bindingdb
    50366211 bindingdb
    50405989 bindingdb
    50577620 bindingdb
    50577669 bindingdb
    50732598 bindingdb
    50732614 bindingdb
    50748489 bindingdb
    50751047 bindingdb
    50753502 bindingdb
    50753516 bindingdb
    50789486 bindingdb
    Molport-001-004-175 molport
    The data in this table is sourced from UniChem at EBI.