Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

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/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/CWXPZXBSDSIRCS-UHFFFAOYSA-N/CHMO0000593
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-30
Related Molecule
  • tert-butyl piperazine-1-carboxylate
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    title : SG-CCP-1277

    date : 20240718

    starting time : 16.40 h

    instrument : spect

    label : SGV-3451

    id : 119454

    Solvent : DMSO

    temperature : 300.0 K

    PULPROG : zg30

    number of scans : 16 scans

    title : SG-CCP-1277

    date : 20240718

    starting time : 17.02 h

    instrument : spect

    label : SGV-3451

    id : 119454

    Solvent : chloroform-D1 (CDCl3)

    Data-Source Molecule ID Data-Source
    J393.816F Nikkaji
    CB9806113 ChemicalBook
    HY-30105 MedChemExpress
    LBC2X3S28C FDA SRS
    DTXSID30205884 EPA CompTox Dashboard
    ZINC000000152447 ZINC
    CB1268276 ChemicalBook
    CB8268275 ChemicalBook
    CB5268274 ChemicalBook
    483605 eMolecules
    143238-38-4 ACToR
    57260-71-6 ACToR
    SCHEMBL8286 SureChEMBL
    16118566 PubChem: Thomson Pharma
    20037378 NMRShiftDB
    143452 PubChem
    MCULE-1715575648 Mcule
    The data in this table is sourced from UniChem at EBI.