| SpectraBase Compound ID | BR4Wn85tsNl |
|---|---|
| InChI | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(15)16/h8-9H,2-7,10H2,1H3,(H,13,14)(H,15,16)/b9-8- |
| InChIKey | PTDZPBBGCHHKCY-HJWRWDBZSA-N |
| Mol Weight | 227.3 g/mol |
| Molecular Formula | C12H21NO3 |
| Exact Mass | 227.152144 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 | Lt4Z5pw14sG |
|---|---|
| Name | 2-Butenoic acid, 4-(octylamino)-4-oxo-, (Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.152143537 u |
| Formula | C12H21NO3 |
| InChI | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-10-13-11(14)8-9-12(15)16/h8-9H,2-7,10H2,1H3,(H,13,14)(H,15,16)/b9-8- |
| InChIKey | PTDZPBBGCHHKCY-HJWRWDBZSA-N |
| Molecular Weight | 227.304 g/mol |
| SMILES | N(CCCCCCCC)C(\C=C/C(=O)O)=O |