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(2-(benzyl(1-(tert-butylamino)-1,3-dioxo-3-(p-tolyl)propan-2-yl)carbamoyl)benzyl)triphenylphosphonium bromide
SpectraBase Compound ID LJULDd7Sgaa
InChI InChI=1S/C47H45N2O3P.BrH/c1-35-29-31-37(32-30-35)44(50)43(45(51)48-47(2,3)4)49(33-36-19-9-5-10-20-36)46(52)42-28-18-17-21-38(42)34-53(39-22-11-6-12-23-39,40-24-13-7-14-25-40)41-26-15-8-16-27-41;/h5-32,43H,33-34H2,1-4H3;1H
InChIKey NYTDIWAMEMFEJJ-UHFFFAOYSA-N
Mol Weight 797.774 g/mol
Molecular Formula C47H46BrN2O3P
Exact Mass 796.242943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C08jSQrlDK6
Name (2-(benzyl(1-(tert-butylamino)-1,3-dioxo-3-(p-tolyl)propan-2-yl)carbamoyl)benzyl)triphenylphosphonium bromide
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Formula C47H46BrN2O3P
InChI InChI=1S/C47H45N2O3P.BrH/c1-35-29-31-37(32-30-35)44(50)43(45(51)48-47(2,3)4)49(33-36-19-9-5-10-20-36)46(52)42-28-18-17-21-38(42)34-53(39-22-11-6-12-23-39,40-24-13-7-14-25-40)41-26-15-8-16-27-41;/h5-32,43H,33-34H2,1-4H3;1H
InChIKey NYTDIWAMEMFEJJ-UHFFFAOYSA-N
Molecular Weight 797.774 g/mol
SMILES N(C(C(N(C(c1c(cccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)=O)Cc1ccccc1)C(=O)c1ccc(cc1)C)=O)C(C)(C)C.[Br-]
SPLASH splash10-05gi-0398000200-b5be4778e4ed17bcc87b
Source of Spectrum J-80-645-7e
Wiley ID 1804222