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Fluoxetine-D6 HFB
SpectraBase Compound ID 9Mk4ptDqzqn
InChI InChI=1S/C21H17F10NO2/c1-32(17(33)18(22,23)20(27,28)21(29,30)31)12-11-16(13-5-3-2-4-6-13)34-15-9-7-14(8-10-15)19(24,25)26/h2-10,16H,11-12H2,1H3/i2D,3D,4D,5D,6D,16D
InChIKey BKTWISKQXHAQCI-ZQOPBQDMSA-N
Mol Weight 511.39 g/mol
Molecular Formula C21H11D6F10NO2
Exact Mass 511.147621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsM04cFXrb9
Name Fluoxetine-D6 HFB
Classification Internal standard Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 511.147620895 u
Formula C21H11D6F10NO2
InChI InChI=1S/C21H17F10NO2/c1-32(17(33)18(22,23)20(27,28)21(29,30)31)12-11-16(13-5-3-2-4-6-13)34-15-9-7-14(8-10-15)19(24,25)26/h2-10,16H,11-12H2,1H3/i2D,3D,4D,5D,6D,16D
InChIKey BKTWISKQXHAQCI-ZQOPBQDMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 511.393 g/mol
SMILES c1(c(c(c(c(c1[D])[D])[D])C(Oc1ccc(cc1)C(F)(F)F)(CCN(C)C(C(F)(F)C(F)(F)C(F)(F)F)=O)[D])[D])[D]
SPLASH splash10-0fxx-3942000000-07c67fda06fdfd9d3fc6
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_7790