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1-(3,4-Methylenedioxyphenyl)butan-2-amine PFO
SpectraBase Compound ID FsuoE6ctXap
InChI InChI=1S/C19H14F15NO3/c1-2-9(5-8-3-4-10-11(6-8)38-7-37-10)35-12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-4,6,9H,2,5,7H2,1H3,(H,35,36)
InChIKey FYYHBRBJEXHKHS-UHFFFAOYSA-N
Mol Weight 589.3 g/mol
Molecular Formula C19H14F15NO3
Exact Mass 589.073416 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YUMTRPinVO
Name 1-(3,4-Methylenedioxyphenyl)butan-2-amine PFO
Classification Phenylbutanamine designer drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 589.073415757 u
Formula C19H14F15NO3
InChI InChI=1S/C19H14F15NO3/c1-2-9(5-8-3-4-10-11(6-8)38-7-37-10)35-12(36)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)34/h3-4,6,9H,2,5,7H2,1H3,(H,35,36)
InChIKey FYYHBRBJEXHKHS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 589.301 g/mol
Nominal Mass 589 u
Quality 961
Retention Index 4204
SMILES C(C(C(C(C(NC(CC=1C=C2C(=CC1)OCO2)CC)=O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
SPLASH splash10-002r-1900000000-cc9021b0d1074f375c31
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms BDB PFO N-(1-(1,3-benzodioxol-5-yl)butan-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
Technique GC/MS
Wiley ID DD2024_002195