3-[(Triphenylphosphoranylidene)amino]-1,6-methano[10]annulene

SpectraBase Compound ID	KFE95Precf7
InChI	InChI=1S/C29H24NP/c1-4-14-27(15-5-1)31(28-16-6-2-7-17-28,29-18-8-3-9-19-29)30-26-21-20-24-12-10-11-13-25(22-24)23-26/h1-21,23H,22H2
InChIKey	MBVNTLIKRDTJDU-UHFFFAOYSA-N Google Search
Mol Weight	417.49 g/mol
Molecular Formula	C29H24NP
Exact Mass	417.164637 g/mol

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SpectraBase Spectrum ID	Ae04vhDtXbD
Name	3-[(Triphenylphosphoranylidene)amino]-1,6-methano[10]annulene
Alternate Name(s)	N-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-3-yl(triphenyl)phosphine imide [bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaen-3-ylimino](triphenyl)phosphorane
CAS Registry Number	137594-08-2
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H24NP
InChI	InChI=1S/C29H24NP/c1-4-14-27(15-5-1)31(28-16-6-2-7-17-28,29-18-8-3-9-19-29)30-26-21-20-24-12-10-11-13-25(22-24)23-26/h1-21,23H,22H2
InChIKey	MBVNTLIKRDTJDU-UHFFFAOYSA-N
Molecular Weight	417.492 g/mol
SMILES	C1(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=CC2=CC=CC=C(C=C1)C2
SPLASH	splash10-0159-0800900000-479d0bf632cf6175de2f
Source of Spectrum	J-57-623-9
Wiley ID	1376934