| SpectraBase Compound ID | 3TMR5dKGhKp |
|---|---|
| InChI | InChI=1S/C18H27NO2/c1-6-7-13-17(16-11-9-8-10-12-16)21-18(20)19(14(2)3)15(4)5/h8-15H,6-7H2,1-5H3/b17-13- |
| InChIKey | ANKVSVQODRFRRB-LGMDPLHJSA-N |
| Mol Weight | 289.42 g/mol |
| Molecular Formula | C18H27NO2 |
| Exact Mass | 289.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJWRWqVpTHB |
|---|---|
| Name | (E),(Z)-1-N,N-Diisopropylcarbamoyloxy-1-phenylpentene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.204179111 u |
| Formula | C18H27NO2 |
| InChI | InChI=1S/C18H27NO2/c1-6-7-13-17(16-11-9-8-10-12-16)21-18(20)19(14(2)3)15(4)5/h8-15H,6-7H2,1-5H3/b17-13- |
| InChIKey | ANKVSVQODRFRRB-LGMDPLHJSA-N |
| SMILES | C(O\C(C=1C=CC=CC1)=C\CCC)(N(C(C)C)C(C)C)=O |