Dataset

3ALPHA,4ALPHA,5BETA-TRI(TRIMETHYLSILYLOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID TRIMETHYLSILYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001096 contains the MS mass spectrum of 3ALPHA,4ALPHA,5BETA-TRI(TRIMETHYLSILYLOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID TRIMETHYLSILYL ESTER with the InChIkey LMFAUEGOCMAFIW-BZSNNMDCSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3/t16-,17-,18-/m0/s1
SMILES C[Si](C)(C)OC(=O)C(C1)=CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)1
InChI Key LMFAUEGOCMAFIW-BZSNNMDCSA-N
Molecular Formula C19H42O5Si4
Exact Mass 462.211 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-JP001096
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MetadataPublished 2016-01-19
Related Molecule
  • trimethylsilyl (3S,4R,5S)-3,4,5-tris(trimethylsilyloxy)cyclohexene-1-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    101618137 pubchem
    The data in this table is sourced from UniChem at EBI.