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Valine, N-methyl-N-allyloxycarbonyl-, hexyl ester
SpectraBase Compound ID ra8cfzFL9q
InChI InChI=1S/C16H29NO4/c1-6-8-9-10-12-20-15(18)14(13(3)4)17(5)16(19)21-11-7-2/h7,13-14H,2,6,8-12H2,1,3-5H3
InChIKey SDXMTTKMFIYMKC-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H29NO4
Exact Mass 299.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 737XgaZvTHI
Name Valine, N-methyl-N-allyloxycarbonyl-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.209658414 u
Formula C16H29NO4
InChI InChI=1S/C16H29NO4/c1-6-8-9-10-12-20-15(18)14(13(3)4)17(5)16(19)21-11-7-2/h7,13-14H,2,6,8-12H2,1,3-5H3
InChIKey SDXMTTKMFIYMKC-UHFFFAOYSA-N
SMILES C=CCOC(N(C(C(C)C)C(OCCCCCC)=O)C)=O