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(2S)-1-(3-chlorobenzyl)-5-keto-proline
SpectraBase Compound ID KNWPgukgoPS
InChI InChI=1S/C12H12ClNO3/c13-9-3-1-2-8(6-9)7-14-10(12(16)17)4-5-11(14)15/h1-3,6,10H,4-5,7H2,(H,16,17)/t10-/m0/s1
InChIKey HTTLIOSKZPIJHB-JTQLQIEISA-N
Mol Weight 253.68 g/mol
Molecular Formula C12H12ClNO3
Exact Mass 253.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44j02cAhuJ8
Name (2S)-1-(3-chlorobenzyl)-5-keto-proline
CAS Registry Number 103201-07-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO3
InChI InChI=1S/C12H12ClNO3/c13-9-3-1-2-8(6-9)7-14-10(12(16)17)4-5-11(14)15/h1-3,6,10H,4-5,7H2,(H,16,17)/t10-/m0/s1
InChIKey HTTLIOSKZPIJHB-JTQLQIEISA-N
Molecular Weight 253.685 g/mol
SMILES OC([C@]1(N(C(CC1)=O)Cc1cc(Cl)ccc1)[H])=O
SPLASH splash10-004i-0930000000-f40261e801cb818bdc6c
Source of Spectrum J-51-3699-1
Synonyms (2S)-1-[(3-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid (2S)-1-[(3-chlorophenyl)methyl]-5-oxo-2-pyrrolidinecarboxylic acid (2S)-1-[(3-chlorophenyl)methyl]-5-oxo-pyrrolidine-2-carboxylic acid
Wiley ID 1256615