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2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, heptyl ester

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2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, heptyl ester
SpectraBase Compound ID 8djNbYx8yIO
InChI InChI=1S/C22H33NO5/c1-3-5-6-7-11-15-27-21(24)20(12-4-2)23-22(25)28-17-16-26-18-19-13-9-8-10-14-19/h4,8-10,13-14,20H,2-3,5-7,11-12,15-18H2,1H3,(H,23,25)
InChIKey NNQJTEVGCHJBDO-UHFFFAOYSA-N
Mol Weight 391.5 g/mol
Molecular Formula C22H33NO5
Exact Mass 391.235873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yY5kEuJNlP
Name 2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.235873162 u
Formula C22H33NO5
InChI InChI=1S/C22H33NO5/c1-3-5-6-7-11-15-27-21(24)20(12-4-2)23-22(25)28-17-16-26-18-19-13-9-8-10-14-19/h4,8-10,13-14,20H,2-3,5-7,11-12,15-18H2,1H3,(H,23,25)
InChIKey NNQJTEVGCHJBDO-UHFFFAOYSA-N
Molecular Weight 391.508 g/mol
SMILES C(C(C(OCCCCCCC)=O)NC(=O)OCCOCC1=CC=CC=C1)C=C