| SpectraBase Compound ID | AO7uroI7H19 |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-3-4-10-19-14(17)8-9-16-15(18)13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,18) |
| InChIKey | KQVGMKUUKYBNKC-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 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 | 9yOQjFcS7n4 |
|---|---|
| Name | .beta.-Alanine, N-(3-methylbenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-3-4-10-19-14(17)8-9-16-15(18)13-7-5-6-12(2)11-13/h5-7,11H,3-4,8-10H2,1-2H3,(H,16,18) |
| InChIKey | KQVGMKUUKYBNKC-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | C1=CC=C(C=C1C(NCCC(OCCCC)=O)=O)C |