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5-oxo-L-Proline propyl ester
SpectraBase Compound ID 35xTxZ8TQ1Q
InChI InChI=1S/C8H13NO3/c1-2-5-12-8(11)6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey BGXWNKLNZHEEMA-LURJTMIESA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JuxDzkDbSC
Name L-Proline,5-oxo propyl ester
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 171.089543280 u
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-2-5-12-8(11)6-3-4-7(10)9-6/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey BGXWNKLNZHEEMA-LURJTMIESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 171.196 g/mol
Nominal Mass 171 u
Quality 992
Retention Index 1287
SMILES [C@]1(NC(CC1)=O)(C(OCCC)=O)[H]
SPLASH splash10-001i-9000000000-92fa6317d67a9e5f2aff
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propyl (2S)-5-oxopyrrolidine-2-carboxylate
Technique GC/MS
Wiley ID DD2024_033494