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Perphenazine, tbdms derivative

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

Perphenazine, tbdms derivative
SpectraBase Compound ID 3bxKPu0MFQ9
InChI InChI=1S/C27H40ClN3OSSi/c1-27(2,3)34(4,5)32-20-19-30-17-15-29(16-18-30)13-8-14-31-23-9-6-7-10-25(23)33-26-12-11-22(28)21-24(26)31/h6-7,9-12,21H,8,13-20H2,1-5H3
InChIKey CSOMRIXBUZBBGL-UHFFFAOYSA-N
Mol Weight 518.2 g/mol
Molecular Formula C27H40ClN3OSSi
Exact Mass 517.234988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FofxclOJltk
Name Perphenazine, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 517.234988328 u
Formula C27H40ClN3OSSi
InChI InChI=1S/C27H40ClN3OSSi/c1-27(2,3)34(4,5)32-20-19-30-17-15-29(16-18-30)13-8-14-31-23-9-6-7-10-25(23)33-26-12-11-22(28)21-24(26)31/h6-7,9-12,21H,8,13-20H2,1-5H3
InChIKey CSOMRIXBUZBBGL-UHFFFAOYSA-N
Molecular Weight 518.235 g/mol
SMILES CC(C)(C)[Si](C)(C)OCCN1CCN(CCCN2C3=C(SC=4C2=CC=CC4)C=CC(Cl)=C3)CC1