Dataset

7-Methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphtalene; GC-EI-TOF; MS; POSITIVE; 70 V

This MassBank record with Accession MSBNK-MSSJ-MSJ02432 contains the MS mass spectrum of 7-Methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphtalene with the InChIkey XGHDAFMTCCZYKI-LLVKDONJSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H15F5/c1-9-5-6-10-3-2-4-11(12(10)7-9)8-13(15,16)14(17,18)19/h5-7,11H,2-4,8H2,1H3/t11-/m1/s1
SMILES FC(F)(F)C(F)(F)C[C@H]1CCCc2ccc(C)cc21
InChI Key XGHDAFMTCCZYKI-LLVKDONJSA-N
Molecular Formula C14H15F5
Exact Mass 278.109 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ02432
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MetadataPublished 2023-10-01
Related Molecule
  • (1R)-7-methyl-1-(2,2,3,3,3-pentafluoropropyl)-1,2,3,4-tetrahydronaphthalene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    171394294 pubchem
    The data in this table is sourced from UniChem at EBI.