| SpectraBase Compound ID | 3SBgcZhbg8X |
|---|---|
| InChI | InChI=1S/C13H23NO3/c1-2-10-17-12(15)8-9-14-13(16)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,16) |
| InChIKey | GHQRLSXSUSRJEH-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C13H23NO3 |
| Exact Mass | 241.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | G4fEA0NJx3n |
|---|---|
| Name | .beta.-Alanine, N-cyclohexylcarbonyl-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.167793602 u |
| Formula | C13H23NO3 |
| InChI | InChI=1S/C13H23NO3/c1-2-10-17-12(15)8-9-14-13(16)11-6-4-3-5-7-11/h11H,2-10H2,1H3,(H,14,16) |
| InChIKey | GHQRLSXSUSRJEH-UHFFFAOYSA-N |
| Molecular Weight | 241.331 g/mol |
| SMILES | C1CCCCC1C(NCCC(OCCC)=O)=O |