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5-(1-Methylpyrrol-2-yl)-3-oxopentanoic acid ethyl ester
SpectraBase Compound ID ENFKzYSp0gs
InChI InChI=1S/C12H17NO3/c1-3-16-12(15)9-11(14)7-6-10-5-4-8-13(10)2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKey YAFBLQONEGBTDQ-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8X2HCAfjAX
Name 5-(1-Methylpyrrol-2-yl)-3-oxopentanoic acid ethyl ester
Alternate Name(s) 3-keto-5-(1-methylpyrrol-2-yl)valeric acid ethyl ester 5-(1-Methyl-2-pyrrolyl)-3-oxopentanoic acid ethyl ester Ethyl 5-(1-methylpyrrol-2-yl)-3-oxidanylidene-pentanoate Ethyl 5-(1-methylpyrrol-2-yl)-3-oxo-pentanoate
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Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-3-16-12(15)9-11(14)7-6-10-5-4-8-13(10)2/h4-5,8H,3,6-7,9H2,1-2H3
InChIKey YAFBLQONEGBTDQ-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES C(CC(CCc1[n](ccc1)C)=O)(=O)OCC
SPLASH splash10-000x-9400000000-f9da0f0f8aa598c6d026
Source of Spectrum KC-60-1507-5
Wiley ID 1583404