| SpectraBase Compound ID | LYTuR3FVwhQ |
|---|---|
| InChI | InChI=1S/C19H28BrNO3/c1-2-3-4-5-6-7-8-14-24-18(22)12-13-21-19(23)16-10-9-11-17(20)15-16/h9-11,15H,2-8,12-14H2,1H3,(H,21,23) |
| InChIKey | QYRGPDVIPUGGPI-UHFFFAOYSA-N |
| Mol Weight | 398.34 g/mol |
| Molecular Formula | C19H28BrNO3 |
| Exact Mass | 397.125257 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 | 5NYEHPxKXU2 |
|---|---|
| Name | .beta.-Alanine, N-(3-bromobenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.125256763 u |
| Formula | C19H28BrNO3 |
| InChI | InChI=1S/C19H28BrNO3/c1-2-3-4-5-6-7-8-14-24-18(22)12-13-21-19(23)16-10-9-11-17(20)15-16/h9-11,15H,2-8,12-14H2,1H3,(H,21,23) |
| InChIKey | QYRGPDVIPUGGPI-UHFFFAOYSA-N |
| Molecular Weight | 398.341 g/mol |
| SMILES | C1(=CC=CC(=C1)C(NCCC(OCCCCCCCCC)=O)=O)Br |