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Pentadeuterio-amphetamine - pentafluorobenzoate derivative
SpectraBase Compound ID 3EslX9Oy2d6
InChI InChI=1S/C16H12F5NO/c1-8(7-9-5-3-2-4-6-9)22-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-6,8H,7H2,1H3,(H,22,23)/i2D,3D,4D,5D,6D
InChIKey NPIPZKLVEUSGOX-VIQYUKPQSA-N
Mol Weight 334.3 g/mol
Molecular Formula C16H72D5F5NO
Exact Mass 334.115289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OXhMQHZvU4
Name Pentadeuterio-amphetamine - pentafluorobenzoate derivative
Alternate Name(s) N-(Pentafluorobenzoyl)-1-(pentadeuterio)phenyl-2-aminopropane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H7D5F5NO
InChI InChI=1S/C16H12F5NO/c1-8(7-9-5-3-2-4-6-9)22-16(23)10-11(17)13(19)15(21)14(20)12(10)18/h2-6,8H,7H2,1H3,(H,22,23)/i2D,3D,4D,5D,6D
InChIKey NPIPZKLVEUSGOX-VIQYUKPQSA-N
Molecular Weight 334.301 g/mol
SMILES N(C(c1c(c(F)c(c(c1F)F)F)F)=O)C(Cc1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])C
SPLASH splash10-0002-4910000000-da72a71d589a2c15e2e5
Source of Spectrum KO-23-639-0
Wiley ID 747128