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3,3-Dimethyl-4-oxo-5-pyrrolidin-2-ylidene-pentanoic acid, methyl ester

View entire compound with spectra: 2 MS (GC)

3,3-Dimethyl-4-oxo-5-pyrrolidin-2-ylidene-pentanoic acid, methyl ester
SpectraBase Compound ID E7PkGDrKAfw
InChI InChI=1S/C12H19NO3/c1-12(2,8-11(15)16-3)10(14)7-9-5-4-6-13-9/h7,13H,4-6,8H2,1-3H3/b9-7+
InChIKey NDWJPVIXHHXBQY-VQHVLOKHSA-N
Mol Weight 225.29 g/mol
Molecular Formula C12H19NO3
Exact Mass 225.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZ1J1dKB1vv
Name 3,3-Dimethyl-4-oxo-5-pyrrolidin-2-ylidene-pentanoic acid, methyl ester
Alternate Name(s) Methyl (5E)-3,3-dimethyl-4-oxo-5-(2-pyrrolidinylidene)pentanoate Methyl (5E)-3,3-dimethyl-4-oxo-5-pyrrolidin-2-ylidenepentanoate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO3
InChI InChI=1S/C12H19NO3/c1-12(2,8-11(15)16-3)10(14)7-9-5-4-6-13-9/h7,13H,4-6,8H2,1-3H3/b9-7+
InChIKey NDWJPVIXHHXBQY-VQHVLOKHSA-N
Molecular Weight 225.288 g/mol
SMILES N1CCC\C1=C\C(C(C)(C)CC(=O)OC)=O
SPLASH splash10-03di-3910000000-3b46b6886df2f9415357
Wiley ID 1485613