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boc-4-Cyano-D-phenylalanine, tms

View entire compound with spectra: 1 NMR

boc-4-Cyano-D-phenylalanine, tms
SpectraBase Compound ID 60jZk1tSlO9
InChI InChI=1S/C18H26N2O4Si/c1-18(2,3)23-17(22)20-15(16(21)24-25(4,5)6)11-13-7-9-14(12-19)10-8-13/h7-10,15H,11H2,1-6H3,(H,20,22)/t15-/m1/s1
InChIKey WIUBBHKTACHVHZ-OAHLLOKOSA-N
Mol Weight 362.5 g/mol
Molecular Formula C18H26N2O4Si
Exact Mass 362.166184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9renSkQEn8
Name boc-4-Cyano-D-phenylalanine, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.166183856 u
Formula C18H26N2O4Si
InChI InChI=1S/C18H26N2O4Si/c1-18(2,3)23-17(22)20-15(16(21)24-25(4,5)6)11-13-7-9-14(12-19)10-8-13/h7-10,15H,11H2,1-6H3,(H,20,22)/t15-/m1/s1
InChIKey WIUBBHKTACHVHZ-OAHLLOKOSA-N
Molecular Weight 362.501 g/mol
SMILES [C@](NC(=O)OC(C)(C)C)(CC1=CC=C(C=C1)C#N)(C(=O)O[Si](C)(C)C)[H]