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Tert-butyl (2S)-4.alpha.-((p-fluorophenyl)methyl)pyroglutamate
SpectraBase Compound ID BFM30ELrFj0
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-/m0/s1
InChIKey DWKUQNDULUPMQE-AAEUAGOBSA-N
Mol Weight 293.34 g/mol
Molecular Formula C16H20FNO3
Exact Mass 293.142722 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30TSbce4AOU
Name Tert-butyl (2S)-4.alpha.-((p-fluorophenyl)methyl)pyroglutamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.142721668 u
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-/m0/s1
InChIKey DWKUQNDULUPMQE-AAEUAGOBSA-N
Molecular Weight 293.338 g/mol
SMILES C1(N[C@@](C[C@@]1(CC=1C=CC(=CC1)F)[H])(C(OC(C)(C)C)=O)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95157