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tert-Butyl (2S)-4.beta.-((p-fluorophenyl)methyl)pyroglutamate
SpectraBase Compound ID zecNOO8v63
InChI InChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)13-9-11(14(19)18-13)8-10-4-6-12(17)7-5-10/h4-7,11,13H,8-9H2,1-3H3,(H,18,19)/t11-,13+/m1/s1
InChIKey DWKUQNDULUPMQE-YPMHNXCESA-N
Mol Weight 293.34 g/mol
Molecular Formula C16H20FNO3
Exact Mass 293.142722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tsZvXCMkuW
Name tert-Butyl (2S)-4.beta.-((p-fluorophenyl)methyl)pyroglutamate
Alternate Name(s) tert-Butyl (2S,4R)-4-(4-fluorobenzyl)-5-oxo-2-pyrrolidinecarboxylate
CAS Registry Number 138858-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20FNO3
InChI InChI=1S/C16H20FNO3/c1-16(2,3)21-15(20)13-9-11(14(19)18-13)8-10-4-6-12(17)7-5-10/h4-7,11,13H,8-9H2,1-3H3,(H,18,19)/t11-,13+/m1/s1
InChIKey DWKUQNDULUPMQE-YPMHNXCESA-N
Molecular Weight 293.338 g/mol
SMILES N1[C@@](C[C@](C1=O)(Cc1ccc(cc1)F)[H])(C(OC(C)(C)C)=O)[H]
SPLASH splash10-0006-0920000000-78f03d3592bed9c65e9c
Source of Spectrum J-57-1924-7
Wiley ID 1296328