Dataset

2-(4-BROMOPHENYL)-2-OXOETHYL 12-(TERT-BUTYLDIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004871 contains the MS mass spectrum of 2-(4-BROMOPHENYL)-2-OXOETHYL 12-(TERT-BUTYLDIMETHYLSILOXY)OCTADEC-9(Z)-ENOATE with the InChIkey SZHCEEWTBBCSDO-VKAVYKQESA-N.

Chemical Information

molecular Image
InChI InChI=1S/C32H53BrO4Si/c1-7-8-9-16-19-29(37-38(5,6)32(2,3)4)20-17-14-12-10-11-13-15-18-21-31(35)36-26-30(34)27-22-24-28(33)25-23-27/h14,17,22-25,29H,7-13,15-16,18-21,26H2,1-6H3/b17-14-
SMILES C([Si](C)(C)OC(CC=CCCCCCCCC(OCC(c(c1)ccc(c1)Br)=O)=O)CCCCCC)(C)(C)C
InChI Key SZHCEEWTBBCSDO-VKAVYKQESA-N
Molecular Formula C32H53BrO4Si
Exact Mass 608.290 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004871
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MetadataPublished 2016-01-19
Related Molecule
  • [2-(4-bromophenyl)-2-oxoethyl] (Z)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-9-enoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J187.478K Nikkaji
    101323122 PubChem
    The data in this table is sourced from UniChem at EBI.