| SpectraBase Compound ID | EQ2CebcQYNo |
|---|---|
| InChI | InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-12-17-24-19(22)15-16-21-20(23)18-13-10-9-11-14-18/h18H,2-17H2,1H3,(H,21,23) |
| InChIKey | OFAOHAXHWQMURX-UHFFFAOYSA-N |
| Mol Weight | 339.5 g/mol |
| Molecular Formula | C20H37NO3 |
| Exact Mass | 339.277344 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KW2h9C2l8gX |
|---|---|
| Name | .beta.-Alanine, N-cyclohexylcarbonyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.277344052 u |
| Formula | C20H37NO3 |
| InChI | InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-12-17-24-19(22)15-16-21-20(23)18-13-10-9-11-14-18/h18H,2-17H2,1H3,(H,21,23) |
| InChIKey | OFAOHAXHWQMURX-UHFFFAOYSA-N |
| Molecular Weight | 339.520 g/mol |
| SMILES | C1CCCCC1C(NCCC(OCCCCCCCCCC)=O)=O |