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dl-Valyl-dl-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester

View entire compound with spectra: 1 NMR

dl-Valyl-dl-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester
SpectraBase Compound ID 9Z8ZwyaLQ0S
InChI InChI=1S/C21H36N2O5/c1-9-11-13-27-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)28-14-12-10-2/h9-10,15-18H,1-2,11-14H2,3-8H3
InChIKey YGQCTRYPHPMJDM-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C21H36N2O5
Exact Mass 396.262422 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FS7msmzSLb8
Name dl-Valyl-dl-valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.262422262 u
Formula C21H36N2O5
InChI InChI=1S/C21H36N2O5/c1-9-11-13-27-20(25)18(16(5)6)22(7)19(24)17(15(3)4)23(8)21(26)28-14-12-10-2/h9-10,15-18H,1-2,11-14H2,3-8H3
InChIKey YGQCTRYPHPMJDM-UHFFFAOYSA-N
Molecular Weight 396.528 g/mol
SMILES C(N(C(C(C)C)C(OCCC=C)=O)C)(C(N(C(OCCC=C)=O)C)C(C)C)=O