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Phenylephrine 2TMSTFA
SpectraBase Compound ID IUuKV5RUCWv
InChI InChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22)
InChIKey PEQXHHBWQBIGBH-UHFFFAOYSA-N
Mol Weight 407.58 g/mol
Molecular Formula C17H28F3NO3Si2
Exact Mass 407.155981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ho4MwltJY
Name Phenylephrine 2TMSTFA
Classification Sympathomimetic
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Exact Mass 407.155981322 u
Formula C17H28F3NO3Si2
InChI InChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-9-8-10-14(11-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22)
InChIKey PEQXHHBWQBIGBH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 407.580 g/mol
SMILES c1cc(C(C(NC(C(F)(F)F)=O)C)O[Si](C)(C)C)cc(O[Si](C)(C)C)c1
SPLASH splash10-01b9-6490000000-04a153229513c6fa0038
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_6156