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dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID 6OkgQjcq6EY
InChI InChI=1S/C25H45NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26(5)25(28)30-20-9-7-2/h2,22-23H,6,8-21H2,1,3-5H3
InChIKey DFRNCLKESUPNPZ-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H45NO4
Exact Mass 423.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHvMf4wkLnB
Name dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 423.334858929 u
Formula C25H45NO4
InChI InChI=1S/C25H45NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26(5)25(28)30-20-9-7-2/h2,22-23H,6,8-21H2,1,3-5H3
InChIKey DFRNCLKESUPNPZ-UHFFFAOYSA-N
Molecular Weight 423.638 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)N(C)C(=O)OCCC#C)(C)C