Dataset

7-OXO-8-(PHENYLTHIO)BICYCLO(4.2.0)OCTANE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000755 contains the MS mass spectrum of 7-OXO-8-(PHENYLTHIO)BICYCLO(4.2.0)OCTANE with the InChIkey GNHINNRRWCHFTJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16OS/c15-13-11-8-4-5-9-12(11)14(13)16-10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9H2
SMILES c(c3)ccc(c3)SC(C(=O)1)C(C2)C(CCC2)1
InChI Key GNHINNRRWCHFTJ-UHFFFAOYSA-N
Molecular Formula C14H16OS
Exact Mass 232.092 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-JP000755
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8-phenylsulfanylbicyclo[4.2.0]octan-7-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J45.739F Nikkaji
    14108593 PubChem
    The data in this table is sourced from UniChem at EBI.