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Trifluperidol 2TMS
SpectraBase Compound ID ByH5SqwUNZI
InChI InChI=1S/C28H39F4NO2Si2/c1-36(2,3)34-26(22-12-14-25(29)15-13-22)11-8-18-33-19-16-27(17-20-33,35-37(4,5)6)23-9-7-10-24(21-23)28(30,31)32/h7,9-15,21H,8,16-20H2,1-6H3/b26-11+
InChIKey PTKYMYLXBAHWHC-KBKYJPHKSA-N
Mol Weight 553.8 g/mol
Molecular Formula C28H39F4NO2Si2
Exact Mass 553.245545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JysBiJQmqNW
Name Trifluperidol 2TMS
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 553.245545220 u
Formula C28H39F4NO2Si2
InChI InChI=1S/C28H39F4NO2Si2/c1-36(2,3)34-26(22-12-14-25(29)15-13-22)11-8-18-33-19-16-27(17-20-33,35-37(4,5)6)23-9-7-10-24(21-23)28(30,31)32/h7,9-15,21H,8,16-20H2,1-6H3/b26-11+
InChIKey PTKYMYLXBAHWHC-KBKYJPHKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 553.789 g/mol
SMILES C(c1cc(C2(O[Si](C)(C)C)CCN(CC2)CC\C=C/(O[Si](C)(C)C)c2ccc(F)cc2)ccc1)(F)(F)F
SPLASH splash10-008c-9567000000-0967a9cbea18328c0c6d
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_5457