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L-Valine, N-propargyloxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-propargyloxycarbonyl-, tetradecyl ester
SpectraBase Compound ID JG5taJ8iAO2
InChI InChI=1S/C23H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-27-22(25)21(20(3)4)24-23(26)28-18-6-2/h2,20-21H,5,7-19H2,1,3-4H3,(H,24,26)
InChIKey PNEDCWCLYOJRHL-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C23H41NO4
Exact Mass 395.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5flLBZ7nRUo
Name L-Valine, N-propargyloxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.303558800 u
Formula C23H41NO4
InChI InChI=1S/C23H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-19-27-22(25)21(20(3)4)24-23(26)28-18-6-2/h2,20-21H,5,7-19H2,1,3-4H3,(H,24,26)
InChIKey PNEDCWCLYOJRHL-UHFFFAOYSA-N
Molecular Weight 395.584 g/mol
SMILES C(CCCCCCCOC(C(NC(OCC#C)=O)C(C)C)=O)CCCCCC