Dataset

3-PHENYLDODECANE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012314 contains the MS mass spectrum of 3-PHENYLDODECANE with the InChIkey PGVOXXHNGYYHHB-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
SMILES CCCCCCCCCC(CC)c(c1)cccc1
InChI Key PGVOXXHNGYYHHB-UHFFFAOYSA-N
Molecular Formula C18H30
Exact Mass 246.235 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-JP012314
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • dodecan-3-ylbenzene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    60024299 NMRShiftDB
    16301798 PubChem: Thomson Pharma
    2400-00-2 ACToR
    DTXSID40862922 EPA CompTox Dashboard
    J144.899D Nikkaji
    SCHEMBL3097530 SureChEMBL
    16979 PubChem
    The data in this table is sourced from UniChem at EBI.