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DFBDB HFB
SpectraBase Compound ID IC3gH2XhY1N
InChI InChI=1S/C15H12F9NO3/c1-2-8(25-11(26)12(16,17)13(18,19)14(20,21)22)5-7-3-4-9-10(6-7)28-15(23,24)27-9/h3-4,6,8H,2,5H2,1H3,(H,25,26)
InChIKey BWDDLKMDUQQSSR-UHFFFAOYSA-N
Mol Weight 425.25 g/mol
Molecular Formula C15H12F9NO3
Exact Mass 425.067347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID u8lDnruq0
Name DFBDB HFB
Classification Phenylbutanamine designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 425.067346714 u
Formula C15H12F9NO3
InChI InChI=1S/C15H12F9NO3/c1-2-8(25-11(26)12(16,17)13(18,19)14(20,21)22)5-7-3-4-9-10(6-7)28-15(23,24)27-9/h3-4,6,8H,2,5H2,1H3,(H,25,26)
InChIKey BWDDLKMDUQQSSR-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 425.251 g/mol
Nominal Mass 425 u
Quality 997
Retention Index 1579
SMILES C(C(C(F)(F)F)(F)F)(C(NC(CC=1C=C2C(OC(O2)(F)F)=CC1)CC)=O)(F)F
SPLASH splash10-0w2c-9470000000-01fd9a3d212e144e1194
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(1-(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)butan-2-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
Technique GC/MS
Wiley ID DD2024_022201