| SpectraBase Compound ID | 2bAQd3I33Gb |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-6-7-8-13-22-18(21)14(3)19-17(20)16-11-9-15(5-2)10-12-16/h9-12,14H,4-8,13H2,1-3H3,(H,19,20) |
| InChIKey | LCJRBSPMSWYKOZ-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 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 | 6FE0ZjedOgp |
|---|---|
| Name | D-Alanine, N-(4-ethylbenzoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-4-6-7-8-13-22-18(21)14(3)19-17(20)16-11-9-15(5-2)10-12-16/h9-12,14H,4-8,13H2,1-3H3,(H,19,20) |
| InChIKey | LCJRBSPMSWYKOZ-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C(NC(=O)C=1C=CC(CC)=CC1)(C(OCCCCCC)=O)C |