| SpectraBase Compound ID | 54luB1z7Ovz |
|---|---|
| InChI | InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-22-21(24)19(2)3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | XGDYFIPEDWKJHO-UHFFFAOYSA-N |
| Mol Weight | 355.6 g/mol |
| Molecular Formula | C21H41NO3 |
| Exact Mass | 355.308644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkT9IrHvcjQ |
|---|---|
| Name | .beta.-Alanine, N-isobutyryl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.308644181 u |
| Formula | C21H41NO3 |
| InChI | InChI=1S/C21H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-25-20(23)16-17-22-21(24)19(2)3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey | XGDYFIPEDWKJHO-UHFFFAOYSA-N |
| Molecular Weight | 355.563 g/mol |
| SMILES | CC(C)C(NCCC(OCCCCCCCCCCCCCC)=O)=O |