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Phenacyl N-T-boc-phenylalanine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Phenacyl N-T-boc-phenylalanine
SpectraBase Compound ID HduAa7qdlgV
InChI InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)23-18(14-16-10-6-4-7-11-16)20(25)27-15-19(24)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKey LEPWLWUYAAXNKP-SFHVURJKSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6w82GUSr9zh
Name Phenacyl N-T-boc-phenylalanine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.173272904 u
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)23-18(14-16-10-6-4-7-11-16)20(25)27-15-19(24)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1
InChIKey LEPWLWUYAAXNKP-SFHVURJKSA-N
Molecular Weight 383.444 g/mol
SMILES C(N[C@](C(OCC(=O)C=1C=CC=CC1)=O)(CC1=CC=CC=C1)[H])(OC(C)(C)C)=O