SpectraBase Compound ID | ra8cfzFL9q |
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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 |
SpectraBase Spectrum ID | 737XgaZvTHI |
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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 |