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Synephrine 3TMS
SpectraBase Compound ID 5uSNH5ilkYl
InChI InChI=1S/C18H37NO2Si3/c1-19(22(2,3)4)15-18(21-24(8,9)10)16-11-13-17(14-12-16)20-23(5,6)7/h11-14,18H,15H2,1-10H3
InChIKey JNFYKVILTXHEJH-UHFFFAOYSA-N
Mol Weight 383.8 g/mol
Molecular Formula C18H37NO2Si3
Exact Mass 383.213209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0tkyTTcdYM
Name synephrine, 3TMS
Comments Derivatization type: 3 TMS (mass: 383.213); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000333; Note: The molecular formula of the structure shown is C9H13NO2 - which differs from the formula reported for the mass spectrum (C18H37NO2Si3)
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Formula C18H37NO2Si3
InChI InChI=1S/C18H37NO2Si3/c1-19(22(2,3)4)15-18(21-24(8,9)10)16-11-13-17(14-12-16)20-23(5,6)7/h11-14,18H,15H2,1-10H3
InChIKey JNFYKVILTXHEJH-UHFFFAOYSA-N
Molecular Weight 383.754 g/mol
SMILES CN(CC(c1ccc(cc1)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-014i-0900000000-c295e3a3035d15a699ee
Source of Spectrum FM-2019-333-0
Synonyms Synephrine, 3TMS p-Synephrine, 3TMS Oxedrine, 3TMS Sympatol, 3TMS Parasympatol, 3TMS Sympaethamine, 3TMS 4-(1-hydroxy-2-methylaminoethyl)phenol, 3TMS N,1,1,1-tetramethyl-N-(2-((trimethylsilyl)oxy)-2-(4-((trimethylsilyl)oxy)phenyl)ethyl)silanamine
Wiley ID 1818020