Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

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/CHMO0000596
License URL
Source https://www.chemotion-repository.net/inchikey/CWXPZXBSDSIRCS-UHFFFAOYSA-N/CHMO0000596
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-01-30
Related Molecule
  • tert-butyl piperazine-1-carboxylate
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-1277

    Date : 20240719

    Start time : 19.21 h

    Label : SGV-3451

    ID : 119454

    Solvent : chloroform-D1 (CDCl3)

    Temperature : 300.0 K K

    Puls programme : deptsp90

    Number of scans : 256

    Instrument : spect

    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.