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Atropine TFA                  @
SpectraBase Compound ID BzkYR2GACbA
InChI InChI=1S/C19H22F3NO4/c1-23-13-7-8-14(23)10-15(9-13)27-17(24)16(12-5-3-2-4-6-12)11-26-18(25)19(20,21)22/h2-6,13-16H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey GKYJCGNZIDENFC-PJPHBNEVSA-N
Mol Weight 385.38 g/mol
Molecular Formula C19H22F3NO4
Exact Mass 385.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTcIBrevql8
Name Atropine TFA @
Classification Anticholinergic
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Exact Mass 385.150092677 u
Formula C19H22NO4F3
InChI InChI=1S/C19H22F3NO4/c1-23-13-7-8-14(23)10-15(9-13)27-17(24)16(12-5-3-2-4-6-12)11-26-18(25)19(20,21)22/h2-6,13-16H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey GKYJCGNZIDENFC-PJPHBNEVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 385.383 g/mol
SMILES c1ccc(cc1)C(C(OC1C[C@@]2(N([C@](C1)(CC2)[H])C)[H])=O)COC(C(F)(F)F)=O
SPLASH splash10-00di-9610000000-1b973d2e1ee9b0a0f47b
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
Synonyms Hyoscyamine TFA
Technique GC/MS
Wiley ID MMPW6e_8123