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Scopolamine TFA
SpectraBase Compound ID IBm9VedNGEy
InChI InChI=1S/C19H20F3NO5/c1-23-13-7-11(8-14(23)16-15(13)28-16)27-17(24)12(10-5-3-2-4-6-10)9-26-18(25)19(20,21)22/h2-6,11-16H,7-9H2,1H3/t11?,12?,13-,14+,15?,16?
InChIKey ZHKPRCFAQRNWSY-QUFRNCFNSA-N
Mol Weight 399.37 g/mol
Molecular Formula C19H20F3NO5
Exact Mass 399.129357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EXZ6ahPVmzt
Name Scopolamine TFA
Classification Anticholinergic
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Exact Mass 399.129357232 u
Formula C19H20NO5F3
InChI InChI=1S/C19H20F3NO5/c1-23-13-7-11(8-14(23)16-15(13)28-16)27-17(24)12(10-5-3-2-4-6-10)9-26-18(25)19(20,21)22/h2-6,11-16H,7-9H2,1H3/t11?,12?,13-,14+,15?,16?
InChIKey ZHKPRCFAQRNWSY-QUFRNCFNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.366 g/mol
SMILES CN1[C@]2(C3OC3[C@@]1(CC(C2)OC(C(COC(C(F)(F)F)=O)c1ccccc1)=O)[H])[H]
SPLASH splash10-0f7c-8910000000-0af3d19078ec36747ae5
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_8126