SpectraBase Compound ID | 3FexLykWff1 |
---|---|
InChI | InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-12-16-22-18(21)14-15-19-17(20)13-11-6-4-2/h3-16H2,1-2H3,(H,19,20) |
InChIKey | WBHNVWZAOOOOFY-UHFFFAOYSA-N |
Mol Weight | 313.5 g/mol |
Molecular Formula | C18H35NO3 |
Exact Mass | 313.261694 g/mol |
SpectraBase Spectrum ID | GpA8V9xFFq |
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Name | .beta.-Alanine, N-caproyl-, nonyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 313.261693988 u |
Formula | C18H35NO3 |
InChI | InChI=1S/C18H35NO3/c1-3-5-7-8-9-10-12-16-22-18(21)14-15-19-17(20)13-11-6-4-2/h3-16H2,1-2H3,(H,19,20) |
InChIKey | WBHNVWZAOOOOFY-UHFFFAOYSA-N |
SMILES | CCCCCC(NCCC(OCCCCCCCCC)=O)=O |