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Flupentixol-M (dihydro-) AC
SpectraBase Compound ID EKXBmk7PRpV
InChI InChI=1S/C25H29F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5,7-9,17,20H,4,6,10-16H2,1H3
InChIKey STBJJGZWHFOMSZ-UHFFFAOYSA-N
Mol Weight 478.57 g/mol
Molecular Formula C25H29F3N2O2S
Exact Mass 478.190184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbVORyi3NS2
Name Flupentixol-M (dihydro-) AC
Classification Neuroleptic
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Exact Mass 478.190183843 u
Formula C25H29F3N2O2S
InChI InChI=1S/C25H29F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5,7-9,17,20H,4,6,10-16H2,1H3
InChIKey STBJJGZWHFOMSZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 478.574 g/mol
SMILES CC(OCCN1CCN(CC1)CCCC1c2ccccc2Sc2ccc(cc12)C(F)(F)F)=O
SPLASH splash10-0170-6982400000-567c455850fd126abaf8
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.
Sample Preparation Procedure Detected: UHYAC
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_1264