| SpectraBase Compound ID | LnuY6jNEG7n |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-6-8-15-9-11-16(12-10-15)17(20)19-14(3)18(21)22-13-7-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,19,20) |
| InChIKey | ZJNQIQUQVFKLCU-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 | K6lXpBNYcMw |
|---|---|
| Name | L-Alanine, N-(4-butylbenzoyl)-, butyl 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/c1-4-6-8-15-9-11-16(12-10-15)17(20)19-14(3)18(21)22-13-7-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,19,20) |
| InChIKey | ZJNQIQUQVFKLCU-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCCC)=O)C)=O)CCCC |