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METHYL-(2S)-N-{(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL}-PROLINATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

METHYL-(2S)-N-{(2S)-N-[(2S)-2-CHLOROPROPIONYL]-PROLYL}-PROLINATE
SpectraBase Compound ID 7ZWxAMaBRJ0
InChI InChI=1S/C14H21ClN2O4/c1-9(15)12(18)16-7-3-5-10(16)13(19)17-8-4-6-11(17)14(20)21-2/h9-11H,3-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey QRXBUDVURCQVFG-DCAQKATOSA-N
Mol Weight 316.79 g/mol
Molecular Formula C14H21ClN2O4
Exact Mass 316.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81577cQCVe7
Name (2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]prolyl]pyrrolidine-2-carboxylic acid methyl ester
Alternate Name(s) (2S)-1-[[(2S)-1-[(2S)-2-chloro-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl (2S)-1-[(2S)-1-[(2S)-2-chloranylpropanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylate Methyl (2S)-1-[(2S)-1-[(2S)-2-chloropropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
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Formula C14H21ClN2O4
InChI InChI=1S/C14H21ClN2O4/c1-9(15)12(18)16-7-3-5-10(16)13(19)17-8-4-6-11(17)14(20)21-2/h9-11H,3-8H2,1-2H3/t9-,10-,11-/m0/s1
InChIKey QRXBUDVURCQVFG-DCAQKATOSA-N
Molecular Weight 316.785 g/mol
SMILES C(N1[C@](C(=O)OC)(CCC1)[H])([C@]1(N(C(=O)[C@@](Cl)(C)[H])CCC1)[H])=O
SPLASH splash10-03k9-4912000000-00985d4fd4201cc6081b
Source of Spectrum KC-0-3774-19
Wiley ID 826934