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(2S)-5-ketopyrrolidine-1,2-dicarboxylic acid O1-benzyl ester O2-tert-butyl ester
SpectraBase Compound ID IYrsAXs9VcO
InChI InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)13-9-10-14(19)18(13)16(21)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey VLWCTEHZKXFOHR-ZDUSSCGKSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoXHyAkSfwm
Name (2S)-5-ketopyrrolidine-1,2-dicarboxylic acid O1-benzyl ester O2-tert-butyl ester
Alternate Name(s) (2S)-5-oxopyrrolidine-1,2-dicarboxylic acid O2-tert-butyl ester O1-(phenylmethyl) ester 1-O-benzyl 2-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate O1-benzyl O2-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate O2-tert-butyl O1-(phenylmethyl) (2S)-5-oxidanylidenepyrrolidine-1,2-dicarboxylate
CAS Registry Number 81470-51-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)13-9-10-14(19)18(13)16(21)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey VLWCTEHZKXFOHR-ZDUSSCGKSA-N
Molecular Weight 319.357 g/mol
SMILES C(N1[C@](C(OC(C)(C)C)=O)(CCC1=O)[H])(OCc1ccccc1)=O
SPLASH splash10-0006-9024000000-100b3797b7760fd54f63
Source of Spectrum J-57-1922-1
Wiley ID 1319350