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Fluphenazine TMS

View entire compound with spectra: 1 NMR, and 3 MS (GC)

Fluphenazine TMS
SpectraBase Compound ID Csr7l8Tw12
InChI InChI=1S/C25H34F3N3OSSi/c1-34(2,3)32-18-17-30-15-13-29(14-16-30)11-6-12-31-21-7-4-5-8-23(21)33-24-10-9-20(19-22(24)31)25(26,27)28/h4-5,7-10,19H,6,11-18H2,1-3H3
InChIKey NCSIXYXJBBTPPU-UHFFFAOYSA-N
Mol Weight 509.7 g/mol
Molecular Formula C25H34F3N3OSSi
Exact Mass 509.214395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G54Fb4BFltn
Name Fluphenazine, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 509.214394924 u
Formula C25H34F3N3OSSi
InChI InChI=1S/C25H34F3N3OSSi/c1-34(2,3)32-18-17-30-15-13-29(14-16-30)11-6-12-31-21-7-4-5-8-23(21)33-24-10-9-20(19-22(24)31)25(26,27)28/h4-5,7-10,19H,6,11-18H2,1-3H3
InChIKey NCSIXYXJBBTPPU-UHFFFAOYSA-N
Molecular Weight 509.707 g/mol
SMILES C1=2SC3=C(N(C2C=CC=C1)CCCN1CCN(CC1)CCO[Si](C)(C)C)C=C(C=C3)C(F)(F)F