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t-Butyl 5-(4-Methoxycarbonyl-1,3,3-trimethyl-2-nitrobutyl)-3,4-dimethylpyrrole-2-carboxylate
SpectraBase Compound ID EKKWQ2siOQt
InChI InChI=1S/C20H32N2O6/c1-11-12(2)16(18(24)28-19(4,5)6)21-15(11)13(3)17(22(25)26)20(7,8)10-14(23)27-9/h13,17,21H,10H2,1-9H3
InChIKey GERYGZJGVLVNMJ-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C20H32N2O6
Exact Mass 396.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWPpexWj0jz
Name t-Butyl 5-(4-Methoxycarbonyl-1,3,3-trimethyl-2-nitrobutyl)-3,4-dimethylpyrrole-2-carboxylate
CAS Registry Number 121129-16-6
Comments Less than 3 mono-isotopic peaks
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Formula C20H32N2O6
InChI InChI=1S/C20H32N2O6/c1-11-12(2)16(18(24)28-19(4,5)6)21-15(11)13(3)17(22(25)26)20(7,8)10-14(23)27-9/h13,17,21H,10H2,1-9H3
InChIKey GERYGZJGVLVNMJ-UHFFFAOYSA-N
Molecular Weight 396.484 g/mol
SMILES [nH]1c(c(c(c1C(OC(C)(C)C)=O)C)C)C(C(N(=O)=O)C(CC(=O)OC)(C)C)C
SPLASH splash10-014i-0900000000-386a712068075d55793a
Source of Spectrum KC-1989-271-0
Synonyms tert-butyl 5-(5-methoxy-1,3,3-trimethyl-2-nitro-5-oxopentyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1367388