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3-Phenylpropylamine PFP
SpectraBase Compound ID 6EAhvUT6scx
InChI InChI=1S/C12H12F5NO/c13-11(14,12(15,16)17)10(19)18-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,18,19)
InChIKey BALWVHIOJMFLSC-UHFFFAOYSA-N
Mol Weight 281.23 g/mol
Molecular Formula C12H12F5NO
Exact Mass 281.083905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CvKO1kAvPZ
Name 3-Phenylpropylamine PFP
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 281.083904824 u
Formula C12H12F5NO
InChI InChI=1S/C12H12F5NO/c13-11(14,12(15,16)17)10(19)18-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,18,19)
InChIKey BALWVHIOJMFLSC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 281.226 g/mol
Nominal Mass 281 u
Quality 946
Retention Index 1510
SMILES C(C(NCCCC1=CC=CC=C1)=O)(C(F)(F)F)(F)F
SPLASH splash10-014l-9800000000-6de8622d604430e6743a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,2,3,3,3-Pentafluoro-N-(3-phenylpropyl)propanamide
Technique GC/MS
Wiley ID DD2024_022464