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Di-t-butyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata
SpectraBase Compound ID EtaBNT5CeJx
InChI InChI=1S/C25H36N2O7/c1-24(2,3)33-22(29)20(23(30)34-25(4,5)6)19(16-12-14-18(15-13-16)27(31)32)21(28)26-17-10-8-7-9-11-17/h12-15,17,19-20H,7-11H2,1-6H3,(H,26,28)
InChIKey AKZQKTGGAPUHHS-UHFFFAOYSA-N
Mol Weight 476.6 g/mol
Molecular Formula C25H36N2O7
Exact Mass 476.252252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhlcZ2Emg9S
Name Di-t-butyl 2-[1-p-nitrophenyl-2-(cyclohexylamino)-2-oxoethyl]malonata
Alternate Name(s) 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioic acid ditert-butyl ester ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxoethyl]propanedioate ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]propanedioate ditert-butyl 2-[2-(cyclohexylamino)-1-(4-nitrophenyl)-2-oxidanylidene-ethyl]propanedioate
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Formula C25H36N2O7
InChI InChI=1S/C25H36N2O7/c1-24(2,3)33-22(29)20(23(30)34-25(4,5)6)19(16-12-14-18(15-13-16)27(31)32)21(28)26-17-10-8-7-9-11-17/h12-15,17,19-20H,7-11H2,1-6H3,(H,26,28)
InChIKey AKZQKTGGAPUHHS-UHFFFAOYSA-N
Molecular Weight 476.570 g/mol
SMILES N(C(C(C(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)c1ccc(N(=O)=O)cc1)=O)C1CCCCC1
SPLASH splash10-05mk-8934400000-d82d18ac22a2bdcff3c6
Source of Spectrum KC-57-1378-4
Wiley ID 1622884