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1-Ethyl-1-methyl-3-oxy-3-phenyl-1,3-benzazaphospholinium Hexafluorophosphate
SpectraBase Compound ID Av3A7qUgsjk
InChI InChI=1S/C16H19NOP.F6P/c1-3-17(2)13-19(18,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-7(2,3,4,5)6/h4-12H,3,13H2,1-2H3;/q+1;-1
InChIKey KQYFVVINZGXIOT-UHFFFAOYSA-N
Mol Weight 417.27 g/mol
Molecular Formula C16H19F6NOP2
Exact Mass 417.084607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32dzpFMxvF0
Name 1-Ethyl-1-methyl-3-oxy-3-phenyl-1,3-benzazaphospholinium Hexafluorophosphate
Appearance Pale brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F6NOP2
InChI InChI=1S/C16H19NOP.F6P/c1-3-17(2)13-19(18,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-7(2,3,4,5)6/h4-12H,3,13H2,1-2H3;/q+1;-1
InChIKey KQYFVVINZGXIOT-UHFFFAOYSA-N
Instrument Name AMD40
Ionization Type EI
Literature Reference DOI 10.1002/ejic.201901069
Molecular Weight 417.272 g/mol
SMILES [P-](F)(F)(F)(F)(F)F.c12c(cccc2)[N+](CP1(=O)c1ccccc1)(C)CC
SPLASH splash10-0079-9020000000-49bc696eb159ef1d67c4
Sample Comments mixture of syn/anti (2:1)
Source of Spectrum U2-2020-189-7c
Wiley ID 1840091