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L-Valine, N-propargyloxycarbonyl-, octadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-propargyloxycarbonyl-, octadecyl ester
SpectraBase Compound ID H7ovtIlguGT
InChI InChI=1S/C27H49NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-31-26(29)25(24(3)4)28-27(30)32-22-6-2/h2,24-25H,5,7-23H2,1,3-4H3,(H,28,30)
InChIKey HBMCJQNFPSZYBC-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C27H49NO4
Exact Mass 451.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlOI9OBl4TS
Name L-Valine, N-propargyloxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.366159058 u
Formula C27H49NO4
InChI InChI=1S/C27H49NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-31-26(29)25(24(3)4)28-27(30)32-22-6-2/h2,24-25H,5,7-23H2,1,3-4H3,(H,28,30)
InChIKey HBMCJQNFPSZYBC-UHFFFAOYSA-N
Molecular Weight 451.692 g/mol
SMILES C(CCCCCCOC(C(NC(OCC#C)=O)C(C)C)=O)CCCCCCCCCCC