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Tert-butyl (2S)-4.alpha.-(phenylmethyl)pyroglutamate
SpectraBase Compound ID 6w9i2gBRNl5
InChI InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)13-10-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKey DDWJVHYAWHGDAI-STQMWFEESA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITy8fYfHYo8
Name tert-Butyl (2S)-4.alpha.-(phenylmethyl)pyroglutamate
CAS Registry Number 127949-77-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)13-10-12(14(18)17-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKey DDWJVHYAWHGDAI-STQMWFEESA-N
Molecular Weight 275.348 g/mol
SMILES N1[C@@](C[C@@](C1=O)(Cc1ccccc1)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-006x-9610000000-40d93e116585d255f50e
Source of Spectrum J-57-1923-6
Synonyms tert-Butyl (2S,4S)-4-benzyl-5-oxo-2-pyrrolidinecarboxylate
Wiley ID 1279205