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L-Valine, N-neopentyloxycarbonyl-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-neopentyloxycarbonyl-, heptadecyl ester
SpectraBase Compound ID CzwX3Ud2pUU
InChI InChI=1S/C28H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-26(30)25(24(2)3)29-27(31)33-23-28(4,5)6/h24-25H,7-23H2,1-6H3,(H,29,31)
InChIKey RIBNDSAQRMQYHT-UHFFFAOYSA-N
Mol Weight 469.8 g/mol
Molecular Formula C28H55NO4
Exact Mass 469.413109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByRQIHHLrae
Name L-Valine, N-neopentyloxycarbonyl-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.413109251 u
Formula C28H55NO4
InChI InChI=1S/C28H55NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32-26(30)25(24(2)3)29-27(31)33-23-28(4,5)6/h24-25H,7-23H2,1-6H3,(H,29,31)
InChIKey RIBNDSAQRMQYHT-UHFFFAOYSA-N
Molecular Weight 469.751 g/mol
SMILES C(CCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)C)=O)CCCCCCCC