Dataset

distortionless enhancement with polarization transfer (DEPT)

dataset for distortionless enhancement with polarization transfer (DEPT)

Chemical Information

molecular Image
InChI InChI=1S/C6H8N2O2S/c7-8-11(9,10)6-4-2-1-3-5-6/h1-5,8H,7H2
SMILES NNS(=O)(=O)c1ccccc1
InChI Key VJRITMATACIYAF-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
Exact Mass 172.205 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000596.1
License URL
Source https://www.chemotion-repository.net/inchikey/VJRITMATACIYAF-UHFFFAOYSA-N/CHMO0000596.1
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-11-07
Related Molecule
  • benzenesulfonohydrazide
    • Field Value
    Measurement Technique distortionless enhancement with polarization transfer
    Measurement Variables
    Title : SG-CCP-3659

    Date : 20231103

    Start time : 21.59 h

    Label : CCP-3488

    ID : 281626

    Solvent : DMSO

    Temperature : 300.0 K K

    Puls programme : deptsp135

    Number of scans : 256

    Instrument : spect

    Data-Source Molecule ID Data-Source
    MCULE-2463772974 Mcule
    65723 PubChem
    WM3 PDBe
    SEGLAR CCDC
    J145.957K Nikkaji
    ZINC000000154607 ZINC
    DTXSID0052548 EPA CompTox Dashboard
    CB4711849 ChemicalBook
    14843171 PubChem: Thomson Pharma
    80-17-1 ACToR
    479990 eMolecules
    SCHEMBL1109 SureChEMBL
    AC8C87U2TA FDA SRS
    The data in this table is sourced from UniChem at EBI.