| SpectraBase Compound ID | BLuUOKEThs2 |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-17-25-19(23)15-16-22-20(24)26-18-21(2,3)4/h5-18H2,1-4H3,(H,22,24) |
| InChIKey | MEIOPLPJKJBNRS-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 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 | 51fMs2PgURP |
|---|---|
| Name | .beta.-Alanine, N-neopentyloxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-17-25-19(23)15-16-22-20(24)26-18-21(2,3)4/h5-18H2,1-4H3,(H,22,24) |
| InChIKey | MEIOPLPJKJBNRS-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | CC(COC(NCCC(OCCCCCCCCCCCC)=O)=O)(C)C |