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3-(2-ketopyrrolidino)benzoic acid methyl ester
SpectraBase Compound ID 6N0HMRldKWI
InChI InChI=1S/C12H13NO3/c1-16-12(15)9-4-2-5-10(8-9)13-7-3-6-11(13)14/h2,4-5,8H,3,6-7H2,1H3
InChIKey JTVFAEPZESYNNJ-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pXRLNhQtYj
Name 3-(2-ketopyrrolidino)benzoic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-16-12(15)9-4-2-5-10(8-9)13-7-3-6-11(13)14/h2,4-5,8H,3,6-7H2,1H3
InChIKey JTVFAEPZESYNNJ-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES C1(N(CCC1)c1cc(ccc1)C(=O)OC)=O
SPLASH splash10-03xr-0980000000-b4429802b06d6b701e13
Source of Spectrum K1-0-1662-45
Synonyms 3-(2-oxo-1-pyrrolidinyl)benzoic acid methyl ester methyl 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate methyl 3-(2-oxopyrrolidin-1-yl)benzoate
Wiley ID 1588689