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Ethyl 1-(4-oxobutyl)-4-nitro-2-pyrrolecarboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 1-(4-oxobutyl)-4-nitro-2-pyrrolecarboxylate
SpectraBase Compound ID HIu4mscMc0I
InChI InChI=1S/C11H14N2O5/c1-2-18-11(15)10-7-9(13(16)17)8-12(10)5-3-4-6-14/h6-8H,2-5H2,1H3
InChIKey JECDTQHRHRTQLQ-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C11H14N2O5
Exact Mass 254.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ENYoReli69
Name Ethyl 1-(4-oxobutyl)-4-nitro-2-pyrrolecarboxylate
Alternate Name(s) Ethyl 4-nitro-1-(4-oxobutyl)-1H-pyrrole-2-carboxylate 4-Nitro-1-(4-oxobutyl)-2-pyrrolecarboxylic acid ethyl ester Ethyl 4-nitro-1-(4-oxobutyl)pyrrole-2-carboxylate Ethyl 4-nitro-1-(4-oxidanylidenebutyl)pyrrole-2-carboxylate
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Formula C11H14N2O5
InChI InChI=1S/C11H14N2O5/c1-2-18-11(15)10-7-9(13(16)17)8-12(10)5-3-4-6-14/h6-8H,2-5H2,1H3
InChIKey JECDTQHRHRTQLQ-UHFFFAOYSA-N
Molecular Weight 254.242 g/mol
SMILES c1(cc(C(=O)OCC)[n](c1)CCCC=O)N(=O)=O
SPLASH splash10-001i-0920000000-65a530a63a5f3677fdb3
Source of Spectrum C-115-7069-16
Wiley ID 1257284