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2-(3,3-difluoro-2-phenylallyl)-1-phenylazepane
SpectraBase Compound ID AZc7oEunVTs
InChI InChI=1S/C21H23F2N/c22-21(23)20(17-10-4-1-5-11-17)16-19-14-8-3-9-15-24(19)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey AMANFKOYXLRDOK-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C21H23F2N
Exact Mass 327.179856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2z2MA0O53M8
Name 2-(3,3-difluoro-2-phenylallyl)-1-phenylazepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.179856071 u
Formula C21H23F2N
InChI InChI=1S/C21H23F2N/c22-21(23)20(17-10-4-1-5-11-17)16-19-14-8-3-9-15-24(19)18-12-6-2-7-13-18/h1-2,4-7,10-13,19H,3,8-9,14-16H2
InChIKey AMANFKOYXLRDOK-UHFFFAOYSA-N
Instrument Name Thermo MAT95XP
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605919
Molecular Weight 327.419 g/mol
Quality 82
Reported Formula C21H23N1F2
SMILES C(F)(=C(CC1N(CCCCC1)C1=CC=CC=C1)C1=CC=CC=C1)F
SPLASH splash10-00di-0900000000-bf445cc0c6fc21d23765
Source of Spectrum QE-23-SM16-9 (DOI: 10.1002/chem.201605919)
Wiley ID 1903708