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N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine, tfa derivative

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N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine, tfa derivative
SpectraBase Compound ID 3GSNg00hMGA
InChI InChI=1S/C18H15F4NO3/c19-14-4-1-12(2-5-14)7-8-23(17(24)18(20,21)22)10-13-3-6-15-16(9-13)26-11-25-15/h1-6,9H,7-8,10-11H2
InChIKey MZZLGHALMROYSO-UHFFFAOYSA-N
Mol Weight 369.32 g/mol
Molecular Formula C18H15F4NO3
Exact Mass 369.098806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IHIKEGRNvuO
Name N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)ethanamine, tfa derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.098805996 u
Formula C18H15F4NO3
InChI InChI=1S/C18H15F4NO3/c19-14-4-1-12(2-5-14)7-8-23(17(24)18(20,21)22)10-13-3-6-15-16(9-13)26-11-25-15/h1-6,9H,7-8,10-11H2
InChIKey MZZLGHALMROYSO-UHFFFAOYSA-N
Molecular Weight 369.316 g/mol
SMILES C1(F)=CC=C(C=C1)CCN(CC1=CC2=C(C=C1)OCO2)C(C(F)(F)F)=O