| SpectraBase Compound ID | 98eo4EZSIka |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-6-14(3)19-18(5,17(20)21-15(4)7-2)13-16-11-9-8-10-12-16/h8-12,14-15,19H,6-7,13H2,1-5H3 |
| InChIKey | QQWQUKFFFFMODG-UHFFFAOYSA-N |
| Mol Weight | 291.44 g/mol |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.219829 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 | D5z7JTpFqGq |
|---|---|
| Name | Phenylalanine, dl, .alpha.-methyl-N-2-butyl-, 2-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.219829176 u |
| Formula | C18H29NO2 |
| InChI | InChI=1S/C18H29NO2/c1-6-14(3)19-18(5,17(20)21-15(4)7-2)13-16-11-9-8-10-12-16/h8-12,14-15,19H,6-7,13H2,1-5H3 |
| InChIKey | QQWQUKFFFFMODG-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CC(C)(NC(C)CC)C(=O)OC(C)CC |