| SpectraBase Compound ID | 5ikkcAJ75w4 |
|---|---|
| InChI | InChI=1S/C14H27NO3/c1-4-5-6-7-8-11-18-13(16)9-10-15-14(17)12(2)3/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | ZTKFUAHTBBMCEA-UHFFFAOYSA-N |
| Mol Weight | 257.37 g/mol |
| Molecular Formula | C14H27NO3 |
| Exact Mass | 257.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALKgTHn1chr |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.199093730 u |
| Formula | C14H27NO3 |
| InChI | InChI=1S/C14H27NO3/c1-4-5-6-7-8-11-18-13(16)9-10-15-14(17)12(2)3/h12H,4-11H2,1-3H3,(H,15,17) |
| InChIKey | ZTKFUAHTBBMCEA-UHFFFAOYSA-N |
| Molecular Weight | 257.374 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCCC)=O)=O |