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N-(1,3-Dimethyl-2-imidazolidinylidene)-N-(2-methoxy-2-oxoethyl)benzenemethanaminium hexafluorophosphate
SpectraBase Compound ID EiGsvaeCixf
InChI InChI=1S/C15H22N3O2.F6P/c1-16-9-10-17(2)15(16)18(12-14(19)20-3)11-13-7-5-4-6-8-13;1-7(2,3,4,5)6/h4-8H,9-12H2,1-3H3;/q+1;-1
InChIKey IOFMHPRHXDSQAM-UHFFFAOYSA-N
Mol Weight 421.32 g/mol
Molecular Formula C15H22F6N3O2P
Exact Mass 421.135383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sItuMFWW1i
Name N-(1,3-Dimethyl-2-imidazolidinylidene)-N-(2-methoxy-2-oxoethyl)benzenemethanaminium hexafluorophosphate
Alternate Name(s) N-Benzyl-N',N''-ethylene-N-[(methoxycarbonyl)methyl]-N',N''-dimethylguanidinium hexafluorophosphate N-Benzyl-N-(2-methoxy-2-oxoethyl)-1,3-dimethylimidazolidin-2-iminium hexafluorophosphate N-benzyl-N-(1,3-dimethylimidazolidin-2-ylidene)-2-methoxy-2-oxoethan-1-aminium hexafluorophosphate(V)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22F6N3O2P
InChI InChI=1S/C15H22N3O2.F6P/c1-16-9-10-17(2)15(16)18(12-14(19)20-3)11-13-7-5-4-6-8-13;1-7(2,3,4,5)6/h4-8H,9-12H2,1-3H3;/q+1;-1
InChIKey IOFMHPRHXDSQAM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201200510
Molecular Weight 421.324 g/mol
SMILES [P-](F)(F)(F)(F)(F)F.C1(=[N+](CC(=O)OC)Cc2ccccc2)N(CCN1C)C
SPLASH splash10-0006-9820000000-ad03720b379fb0e11cae
Source of Spectrum H-96-385-8
Wiley ID 1784698