| SpectraBase Compound ID | DUqB9bodR6x |
|---|---|
| InChI | InChI=1S/C11H17NO4/c1-4-7-15-11(14)12-6-5-10(13)16-8-9(2)3/h1,9H,5-8H2,2-3H3,(H,12,14) |
| InChIKey | FZSCYCYLPKNZLY-UHFFFAOYSA-N |
| Mol Weight | 227.26 g/mol |
| Molecular Formula | C11H17NO4 |
| Exact Mass | 227.115758 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 | 7A4jqjnOYPI |
|---|---|
| Name | .beta.-Alanine, N-propargyloxycarbonyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.115758027 u |
| Formula | C11H17NO4 |
| InChI | InChI=1S/C11H17NO4/c1-4-7-15-11(14)12-6-5-10(13)16-8-9(2)3/h1,9H,5-8H2,2-3H3,(H,12,14) |
| InChIKey | FZSCYCYLPKNZLY-UHFFFAOYSA-N |
| Molecular Weight | 227.260 g/mol |
| SMILES | C#CCOC(NCCC(OCC(C)C)=O)=O |