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4-ketopyrazolidine-1,2-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID 725usHjaJPT
InChI InChI=1S/C13H22N2O5/c1-12(2,3)19-10(17)14-7-9(16)8-15(14)11(18)20-13(4,5)6/h7-8H2,1-6H3
InChIKey CDCUMTCPXMOYEI-UHFFFAOYSA-N
Mol Weight 286.33 g/mol
Molecular Formula C13H22N2O5
Exact Mass 286.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CU7U19uNWKe
Name 4-ketopyrazolidine-1,2-dicarboxylic acid ditert-butyl ester
Alternate Name(s) 4-Oxopyrazolidine-1,2-dicarboxylic acid ditert-butyl ester ditert-butyl 4-oxidanylidenepyrazolidine-1,2-dicarboxylate ditert-butyl 4-oxopyrazolidine-1,2-dicarboxylate
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Formula C13H22N2O5
InChI InChI=1S/C13H22N2O5/c1-12(2,3)19-10(17)14-7-9(16)8-15(14)11(18)20-13(4,5)6/h7-8H2,1-6H3
InChIKey CDCUMTCPXMOYEI-UHFFFAOYSA-N
Molecular Weight 286.328 g/mol
SMILES C(N1N(CC(C1)=O)C(OC(C)(C)C)=O)(OC(C)(C)C)=O
SPLASH splash10-0a59-9600000000-38efeed218c2081868e6
Source of Spectrum SK-29-638-5
Wiley ID 880506