Dataset

2-CYCLOHEXYLCYCLOHEXANOL; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009812 contains the MS mass spectrum of 2-CYCLOHEXYLCYCLOHEXANOL with the InChIkey YTWWBKKPWACPPB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H22O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-13H,1-9H2
SMILES OC(C2)C(CCC2)C(C1)CCCC1
InChI Key YTWWBKKPWACPPB-UHFFFAOYSA-N
Molecular Formula C12H22O
Exact Mass 182.167 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-JP009812
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MetadataPublished 2016-01-19
Related Molecule
  • 2-cyclohexylcyclohexan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    94327 PubChem
    51175-62-3 ACToR
    1061826 eMolecules
    SCHEMBL788170 SureChEMBL
    6531-86-8 ACToR
    E59L8NAX9O FDA SRS
    J101.933C Nikkaji
    DTXSID2041414 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.