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Phenethylamine, N-methyl-.beta.,3,4-tris(trimethylsiloxy)-
SpectraBase Compound ID LEb69K9FTYO
InChI InChI=1S/C18H37NO3Si3/c1-19-14-18(22-25(8,9)10)15-11-12-16(20-23(2,3)4)17(13-15)21-24(5,6)7/h11-13,18-19H,14H2,1-10H3
InChIKey GXPIVEGQEQCSBV-UHFFFAOYSA-N
Mol Weight 399.8 g/mol
Molecular Formula C18H37NO3Si3
Exact Mass 399.208124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7e3fOnIs6sO
Name adrenaline, 3TMS
Comments Derivatization type: 3 TMS (mass: 399.208); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000658; Note: The molecular formula of the structure shown is C9H13NO3 - which differs from the formula reported for the mass spectrum (C18H37NO3Si3)
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Formula C18H37NO3Si3
InChI InChI=1S/C18H37NO3Si3/c1-19-14-18(22-25(8,9)10)15-11-12-16(20-23(2,3)4)17(13-15)21-24(5,6)7/h11-13,18-19H,14H2,1-10H3
InChIKey GXPIVEGQEQCSBV-UHFFFAOYSA-N
Molecular Weight 399.753 g/mol
SMILES N(C)CC(c1ccc(c(c1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
SPLASH splash10-0a4i-1739000000-f9fac47e0e50d10d2580
Source of Spectrum FM-2019-658-0
Synonyms epinephrine, 3TMS Racepinephrine, 3TMS Racepinefrine, 3TMS Epirenamine, 3TMS Vaponefrin, 3TMS 4-(1-hydroxy-2-methylaminoethyl)benzene-1,2-diol, 3TMS 2-(3,4-bis((trimethylsilyl)oxy)phenyl)-N-methyl-2-((trimethylsilyl)oxy)ethan-1-amine
Wiley ID 1818336