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Reboxetine TFA
SpectraBase Compound ID 3udCqoF6zOT
InChI InChI=1S/C21H22F3NO4/c1-2-27-16-10-6-7-11-17(16)29-19(15-8-4-3-5-9-15)18-14-25(12-13-28-18)20(26)21(22,23)24/h3-11,18-19H,2,12-14H2,1H3
InChIKey OALBMQXHEKJHKN-UHFFFAOYSA-N
Mol Weight 409.41 g/mol
Molecular Formula C21H22F3NO4
Exact Mass 409.150093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7dcbjw339bW
Name Reboxetine TFA
Classification Antidepressant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 409.150092677 u
Formula C21H22F3NO4
InChI InChI=1S/C21H22F3NO4/c1-2-27-16-10-6-7-11-17(16)29-19(15-8-4-3-5-9-15)18-14-25(12-13-28-18)20(26)21(22,23)24/h3-11,18-19H,2,12-14H2,1H3
InChIKey OALBMQXHEKJHKN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 409.405 g/mol
SMILES c1cc(c(OC(C2OCCN(C2)C(=O)C(F)(F)F)c2ccccc2)cc1)OCC
SPLASH splash10-0006-9420000000-e0598fcee529af03defe
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_6371