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Epinastine TFA
SpectraBase Compound ID 6qL9ienK0wk
InChI InChI=1S/C18H14F3N3O/c19-18(20,21)16(25)23-17-22-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)24(15)17/h1-8,15H,9-10H2,(H,22,23,25)
InChIKey BSMQXEHLCIDWBS-UHFFFAOYSA-N
Mol Weight 345.33 g/mol
Molecular Formula C18H14F3N3O
Exact Mass 345.108897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0qf3OHotxX
Name Epinastine TFA
Classification Antihistamine
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Exact Mass 345.108896571 u
Formula C18H14N3OF3
InChI InChI=1S/C18H14F3N3O/c19-18(20,21)16(25)23-17-22-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)24(15)17/h1-8,15H,9-10H2,(H,22,23,25)
InChIKey BSMQXEHLCIDWBS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.325 g/mol
SMILES C1c2c(N3C(c4c1cccc4)CN=C3NC(=O)C(F)(F)F)cccc2
SPLASH splash10-00or-6951000000-696c772673578670e3fa
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_7265