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

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2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, hexyl ester
SpectraBase Compound ID 9R4Rvp1vYbS
InChI InChI=1S/C21H31NO5/c1-3-5-6-10-14-26-20(23)19(11-4-2)22-21(24)27-16-15-25-17-18-12-8-7-9-13-18/h4,7-9,12-13,19H,2-3,5-6,10-11,14-17H2,1H3,(H,22,24)
InChIKey GIFGUSFWVZZUEE-UHFFFAOYSA-N
Mol Weight 377.48 g/mol
Molecular Formula C21H31NO5
Exact Mass 377.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcNutJl1PDB
Name 2-Aminopent-4-enoic acid, N-(2-benzyloxyetoxycarbonyl)-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.220223097 u
Formula C21H31NO5
InChI InChI=1S/C21H31NO5/c1-3-5-6-10-14-26-20(23)19(11-4-2)22-21(24)27-16-15-25-17-18-12-8-7-9-13-18/h4,7-9,12-13,19H,2-3,5-6,10-11,14-17H2,1H3,(H,22,24)
InChIKey GIFGUSFWVZZUEE-UHFFFAOYSA-N
Molecular Weight 377.481 g/mol
SMILES C(C(C(OCCCCCC)=O)NC(=O)OCCOCC1=CC=CC=C1)C=C