Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C11H16N2O/c1-2-8-12-11(14)13-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,12,13,14)
SMILES CCCNC(=O)NCc1ccccc1
InChI Key ZDZFEBBLXUPXFV-UHFFFAOYSA-N
Molecular Formula C11H16N2O
Exact Mass 192.258 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZDZFEBBLXUPXFV-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/ZDZFEBBLXUPXFV-UHFFFAOYSA-N/CHMO0000601
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-02-23
Related Molecule
  • 1-benzyl-3-propylurea
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10631604 PubChem
    15662287 PubChem: Thomson Pharma
    SCHEMBL1134902 SureChEMBL
    J998.916A Nikkaji
    ZINC000005951891 ZINC
    The data in this table is sourced from UniChem at EBI.