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2,4-Pentadienoic acid, 5-phenyl-2-[(triphenylphosphoranylidene)amino]-, ethyl ester
SpectraBase Compound ID Dxa8NVN2ZBn
InChI InChI=1S/C31H28NO2P/c1-2-34-31(33)30(25-15-18-26-16-7-3-8-17-26)32-35(27-19-9-4-10-20-27,28-21-11-5-12-22-28)29-23-13-6-14-24-29/h3-25H,2H2,1H3/b18-15+,30-25+
InChIKey LEIMFFQDKOEFSJ-SENAMYGUSA-N
Mol Weight 477.54 g/mol
Molecular Formula C31H28NO2P
Exact Mass 477.185766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHNi3G08V7q
Name 2,4-Pentadienoic acid, 5-phenyl-2-[(triphenylphosphoranylidene)amino]-, ethyl ester
Alternate Name(s) 3-Ethoxycarbonyl-1,1,1,6-tetra-phenyl-2-aza-1.lambda.(5)-phosphahexa-1,3,5-triene ethyl (2E,4E)-5-phenyl-2-[(triphenylphosphoranylidene)amino]-2,4-pentadienoate Ethyl 5-phenyl-2-[(triphenylphosphoranylidene)amino]-2,4-pentadienoate
CAS Registry Number 116972-52-2
Comments Less than 3 mono-isotopic peaks
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Formula C31H28NO2P
InChI InChI=1S/C31H28NO2P/c1-2-34-31(33)30(25-15-18-26-16-7-3-8-17-26)32-35(27-19-9-4-10-20-27,28-21-11-5-12-22-28)29-23-13-6-14-24-29/h3-25H,2H2,1H3/b18-15+,30-25+
InChIKey LEIMFFQDKOEFSJ-SENAMYGUSA-N
Molecular Weight 477.544 g/mol
SMILES c1(P(=N\C(C(=O)OCC)=C/C=C/c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1
SPLASH splash10-014i-0090100000-236c3b5c16ea54202ba3
Source of Spectrum KC-1990-2196-6
Wiley ID 1394592