| SpectraBase Compound ID | DfXHKg6lmgX |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-3-4-5-11-21-15(18)9-10-17-16(19)13-7-6-8-14(12-13)20-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,17,19) |
| InChIKey | VHYNAJSUHWZOMZ-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 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 | CLCRLb1wb1m |
|---|---|
| Name | .beta.-Alanine, N-(3-methoxybenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-3-4-5-11-21-15(18)9-10-17-16(19)13-7-6-8-14(12-13)20-2/h6-8,12H,3-5,9-11H2,1-2H3,(H,17,19) |
| InChIKey | VHYNAJSUHWZOMZ-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1C(NCCC(OCCCCC)=O)=O)OC |