Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3
SMILES O=C(N1CCNCC1)OC(C)(C)C
InChI Key CWXPZXBSDSIRCS-UHFFFAOYSA-N
Molecular Formula C9H18N2O2
Exact Mass 186.251 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CWXPZXBSDSIRCS-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/CWXPZXBSDSIRCS-UHFFFAOYSA-N/CHMO0000595
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-30
Related Molecule
  • tert-butyl piperazine-1-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : SG-CCP-1277

    Date : 20240719

    Start time : 11.37 h

    Label : SGV-3451

    ID : 119454

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 512

    Instrument : spect

    Title : SG-CCP-1277

    Date : 20240719

    Start time : 18.49 h

    Label : SGV-3451

    ID : 119454

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : zgpg30

    Number of scans : 512

    Instrument : spect

    Data-Source Molecule ID Data-Source
    1225127 surechembl
    8286 surechembl
    143452 pubchem
    LBC2X3S28C fdasrs
    PD218065 probes_and_drugs
    Molport-000-002-253 molport
    The data in this table is sourced from UniChem at EBI.