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bis[1'-(t-Butoxycarbonyl)ethyl] 3,3-dimethyl-3H-pyrazole-4,5-dicarboxylate
SpectraBase Compound ID Isk6Aex8XAn
InChI InChI=1S/C21H32N2O8/c1-11(15(24)30-19(3,4)5)28-17(26)13-14(22-23-21(13,9)10)18(27)29-12(2)16(25)31-20(6,7)8/h11-12H,1-10H3
InChIKey KDDZEWQAQYBCMP-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C21H32N2O8
Exact Mass 440.215866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6B488VF4i2N
Name bis[1'-(t-Butoxycarbonyl)ethyl] 3,3-dimethyl-3H-pyrazole-4,5-dicarboxylate
Alternate Name(s) bis(2-tert-butoxy-1-methyl-2-oxoethyl) 3,3-dimethyl-3H-pyrazole-4,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H32N2O8
InChI InChI=1S/C21H32N2O8/c1-11(15(24)30-19(3,4)5)28-17(26)13-14(22-23-21(13,9)10)18(27)29-12(2)16(25)31-20(6,7)8/h11-12H,1-10H3
InChIKey KDDZEWQAQYBCMP-UHFFFAOYSA-N
Molecular Weight 440.493 g/mol
SMILES C1(=C(C(OC(C(OC(C)(C)C)=O)C)=O)C(C)(C)N=N1)C(OC(C(OC(C)(C)C)=O)C)=O
SPLASH splash10-0a4i-9000000000-5098afd9a163313960df
Source of Spectrum U1-2001-4721-11
Wiley ID 815159