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trans-1-[N-(Benzyloxycarbonyl)-(1S)-1-amino-3-cyano-(E)-2-propene]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane [Cbz-L-trans-Gly(-CH=CH-CN)-OBO ester]

View entire compound with spectra: 1 MS (GC)

trans-1-[N-(Benzyloxycarbonyl)-(1S)-1-amino-3-cyano-(E)-2-propene]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane [Cbz-L-trans-Gly(-CH=CH-CN)-OBO ester]
SpectraBase Compound ID CJFnrME8mj5
InChI InChI=1S/C18H20N2O5/c1-17-11-23-18(24-12-17,25-13-17)15(8-5-9-19)20-16(21)22-10-14-6-3-2-4-7-14/h2-8,15H,10-13H2,1H3,(H,20,21)/b8-5+
InChIKey LOARJAUAYAGYSJ-VMPITWQZSA-N
Mol Weight 344.37 g/mol
Molecular Formula C18H20N2O5
Exact Mass 344.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Fjf1Lu1YVc
Name trans-1-[N-(Benzyloxycarbonyl)-(1S)-1-amino-3-cyano-(E)-2-propene]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane [Cbz-L-trans-Gly(-CH=CH-CN)-OBO ester]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O5
InChI InChI=1S/C18H20N2O5/c1-17-11-23-18(24-12-17,25-13-17)15(8-5-9-19)20-16(21)22-10-14-6-3-2-4-7-14/h2-8,15H,10-13H2,1H3,(H,20,21)/b8-5+
InChIKey LOARJAUAYAGYSJ-VMPITWQZSA-N
Molecular Weight 344.367 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C12OCC(CO2)(C)CO1)\C=C\C#N
SPLASH splash10-000f-0059000000-e48a0f702668c2d0b268
Source of Spectrum KC-57-1505-9
Wiley ID 1622971