| SpectraBase Compound ID | 3IqAGwrTIxu |
|---|---|
| InChI | InChI=1S/C13H25NO3/c1-4-5-6-7-10-17-12(15)8-9-14-13(16)11(2)3/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | RNHGEORTQJOUKK-UHFFFAOYSA-N |
| Mol Weight | 243.35 g/mol |
| Molecular Formula | C13H25NO3 |
| Exact Mass | 243.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D18ooYhnsPl |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.183443666 u |
| Formula | C13H25NO3 |
| InChI | InChI=1S/C13H25NO3/c1-4-5-6-7-10-17-12(15)8-9-14-13(16)11(2)3/h11H,4-10H2,1-3H3,(H,14,16) |
| InChIKey | RNHGEORTQJOUKK-UHFFFAOYSA-N |
| Molecular Weight | 243.347 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCC)=O)=O |