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Benzenepropanoic acid, trimethylsilyl ester
SpectraBase Compound ID 68tiF77vOo3
InChI InChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey GRONVOGSDOJOMG-UHFFFAOYSA-N
Mol Weight 222.36 g/mol
Molecular Formula C12H18O2Si
Exact Mass 222.107606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WAwKy71F6e
Name Hydrocinnamic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 222.108); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000225; Note: The molecular formula of the structure shown is C9H10O2 - which differs from the formula reported for the mass spectrum (C12H18O2Si)
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Formula C12H18O2Si
InChI InChI=1S/C12H18O2Si/c1-15(2,3)14-12(13)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKey GRONVOGSDOJOMG-UHFFFAOYSA-N
Molecular Weight 222.359 g/mol
SMILES c1ccc(cc1)CCC(=O)O[Si](C)(C)C
SPLASH splash10-0udi-2910000000-ae542bc86944aef4d388
Source of Spectrum FM-2019-225-0
Synonyms Benzylacetic acid, 1TMS 3-Phenylpropionic acid, 1TMS Phenylpropanoate, 1TMS Benzenepropanoic acid, 1TMS Dihydrocinnamic acid, 1TMS 3-Phenylpropanoic acid, 1TMS Trimethylsilyl 3-phenylpropanoate
Wiley ID 1817915