Dataset

O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010566 contains the MS mass spectrum of O,O-DIETHYL S-(6-CHLOROBENZOXZAOLON-3-YL)METHYL PHOSPHORODITHIOATE with the InChIkey IOUNQDKNJZEDEP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
SMILES CCOP(=S)(OCC)SCN(C(=O)1)c(c2)c(cc(Cl)c2)O1
InChI Key IOUNQDKNJZEDEP-UHFFFAOYSA-N
Molecular Formula C12H15ClNO4PS2
Exact Mass 366.987 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010566
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MetadataPublished 2016-01-19
Related Molecule
  • 6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:8121 chebi
    CHEMBL1528531 chembl
    26843 surechembl
    29561770 surechembl
    4793 pubchem
    448B85HT8M fdasrs
    PD011977 probes_and_drugs
    167248 brenda
    HMDB0041985 hmdb
    The data in this table is sourced from UniChem at EBI.