| SpectraBase Compound ID | 6HfIFChnuT1 |
|---|---|
| InChI | InChI=1S/C16H29NO3/c1-4-5-6-7-8-9-12-20-16(19)10-11-17-15(18)13-14(2)3/h13H,4-12H2,1-3H3,(H,17,18) |
| InChIKey | RJGHMGYFMHNHKK-UHFFFAOYSA-N |
| Mol Weight | 283.41 g/mol |
| Molecular Formula | C16H29NO3 |
| Exact Mass | 283.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49PdWMGgmb |
|---|---|
| Name | .beta.-Alanine, N-(3-methylbut-2-enoyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.214743795 u |
| Formula | C16H29NO3 |
| InChI | InChI=1S/C16H29NO3/c1-4-5-6-7-8-9-12-20-16(19)10-11-17-15(18)13-14(2)3/h13H,4-12H2,1-3H3,(H,17,18) |
| InChIKey | RJGHMGYFMHNHKK-UHFFFAOYSA-N |
| SMILES | CC(=CC(NCCC(OCCCCCCCC)=O)=O)C |