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Di-tert-butyl 2-(2-acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate
SpectraBase Compound ID 7OxoHJFik4r
InChI InChI=1S/C40H44NO6P/c1-28(42)33(36(43)41-29-20-12-8-13-21-29)34(37(44)46-39(2,3)4)35(38(45)47-40(5,6)7)48(30-22-14-9-15-23-30,31-24-16-10-17-25-31)32-26-18-11-19-27-32/h8-27,33-34H,1-7H3,(H,41,43)
InChIKey WJIFXZZLGDYOQW-UHFFFAOYSA-N
Mol Weight 665.8 g/mol
Molecular Formula C40H44NO6P
Exact Mass 665.290625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HWddh8IbkY
Name Di-tert-butyl 2-(2-acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate
Alternate Name(s) Di-tert-butyl 2-(acetoacetanilide-2-yl)-3-(triphenylphosphoranylidene)butanedioate 2-(1-anilino-1,3-dioxobutan-2-yl)-3-triphenylphosphoranylidenebutanedioic acid ditert-butyl ester ditert-butyl 2-(1-anilino-1,3-dioxobutan-2-yl)-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate ditert-butyl 2-[2-oxo-1-(phenylcarbamoyl)propyl]-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate ditert-butyl 2-[1,3-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]-3-(triphenyl-$l^{5}-phosphanylidene)butanedioate
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Formula C40H44NO6P
InChI InChI=1S/C40H44NO6P/c1-28(42)33(36(43)41-29-20-12-8-13-21-29)34(37(44)46-39(2,3)4)35(38(45)47-40(5,6)7)48(30-22-14-9-15-23-30,31-24-16-10-17-25-31)32-26-18-11-19-27-32/h8-27,33-34H,1-7H3,(H,41,43)
InChIKey WJIFXZZLGDYOQW-UHFFFAOYSA-N
Molecular Weight 665.767 g/mol
SMILES N(C(C(C(C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C(=O)C)=O)c1ccccc1
SPLASH splash10-0btc-9030000000-482c728a58ac87600385
Source of Spectrum F-55-11856-4c
Wiley ID 839345