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dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester

View entire compound with spectra: 1 NMR

dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester
SpectraBase Compound ID Jt2PEyDdArg
InChI InChI=1S/C23H40N2O5/c1-9-11-13-14-16-29-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)30-15-12-10-2/h2,17-20H,9,11-16H2,1,3-8H3
InChIKey YTQSTSRETRALLX-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C23H40N2O5
Exact Mass 424.293722 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNvQUQYzHvP
Name dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.293722391 u
Formula C23H40N2O5
InChI InChI=1S/C23H40N2O5/c1-9-11-13-14-16-29-22(27)20(18(5)6)24(7)21(26)19(17(3)4)25(8)23(28)30-15-12-10-2/h2,17-20H,9,11-16H2,1,3-8H3
InChIKey YTQSTSRETRALLX-UHFFFAOYSA-N
Molecular Weight 424.582 g/mol
SMILES C(N(C(C(C)C)C(OCCCCCC)=O)C)(C(N(C(OCCC#C)=O)C)C(C)C)=O