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cumic acid, 1TMS
SpectraBase Compound ID x7t5LBcBqQ
InChI InChI=1S/C13H20O2Si/c1-10(2)11-6-8-12(9-7-11)13(14)15-16(3,4)5/h6-10H,1-5H3
InChIKey UQEWYQRYZBTFBR-UHFFFAOYSA-N
Mol Weight 236.39 g/mol
Molecular Formula C13H20O2Si
Exact Mass 236.123256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5X4uiUkVXp3
Name cumic acid, 1TMS
Comments Derivatization type: 1 TMS (mass: 236.123); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000888; Note: The molecular formula of the structure shown is C10H12O2 - which differs from the formula reported for the mass spectrum (C13H20O2Si)
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Formula C13H20O2Si
InChI InChI=1S/C13H20O2Si/c1-10(2)11-6-8-12(9-7-11)13(14)15-16(3,4)5/h6-10H,1-5H3
InChIKey UQEWYQRYZBTFBR-UHFFFAOYSA-N
Molecular Weight 236.386 g/mol
SMILES CC(C)c1ccc(cc1)C(O[Si](C)(C)C)=O
SPLASH splash10-0ffw-1910000000-f13f5e94681c701fac69
Source of Spectrum FM-2019-888-0
Synonyms Cuminic acid, 1TMS CUMIC ACID, 1TMS 4-Isopropylbenzoic acid, 1TMS p-cumic acid, 1TMS p-Cumate, 1TMS p-Isopropylbenzoic acid, 1TMS 4-Propan-2-ylbenzoic acid, 1TMS Trimethylsilyl 4-isopropylbenzoate
Wiley ID 1818554