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(2S)-1-(3-methyl-2-nitro-benzoyl)proline
SpectraBase Compound ID 1Pwbx3Hskkg
InChI InChI=1S/C13H14N2O5/c1-8-4-2-5-9(11(8)15(19)20)12(16)14-7-3-6-10(14)13(17)18/h2,4-5,10H,3,6-7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKey YSCLHOZYLOQNHX-JTQLQIEISA-N
Mol Weight 278.26 g/mol
Molecular Formula C13H14N2O5
Exact Mass 278.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0p9oOYdGMr
Name (2S)-1-(3-methyl-2-nitro-benzoyl)proline
Alternate Name(s) (2S)-1-(3-methyl-2-nitro-benzoyl)pyrrolidine-2-carboxylic acid (2S)-1-(3-methyl-2-nitro-phenyl)carbonylpyrrolidine-2-carboxylic acid (2S)-1-[(3-methyl-2-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid
CAS Registry Number 100230-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O5
InChI InChI=1S/C13H14N2O5/c1-8-4-2-5-9(11(8)15(19)20)12(16)14-7-3-6-10(14)13(17)18/h2,4-5,10H,3,6-7H2,1H3,(H,17,18)/t10-/m0/s1
InChIKey YSCLHOZYLOQNHX-JTQLQIEISA-N
Molecular Weight 278.264 g/mol
SMILES OC([C@]1(N(C(c2c(N(=O)=O)c(C)ccc2)=O)CCC1)[H])=O
SPLASH splash10-03yr-1940000000-91740141139b790371c8
Source of Spectrum J-51-710-0
Wiley ID 1281654