| SpectraBase Compound ID | H1trvRWSA0Y |
|---|---|
| InChI | InChI=1S/C17H25NO2/c1-14(20-15(2)19)13-18-17(11-7-4-8-12-17)16-9-5-3-6-10-16/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3 |
| InChIKey | ISTOCMUOASAJKA-UHFFFAOYSA-N |
| Mol Weight | 275.39 g/mol |
| Molecular Formula | C17H25NO2 |
| Exact Mass | 275.188529 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1u9hFq4JPlZ |
|---|---|
| Name | Pcpr-m (2''-ho-) ac P750 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.188529047 u |
| Formula | C17H25NO2 |
| InChI | InChI=1S/C17H25NO2/c1-14(20-15(2)19)13-18-17(11-7-4-8-12-17)16-9-5-3-6-10-16/h3,5-6,9-10,14,18H,4,7-8,11-13H2,1-2H3 |
| InChIKey | ISTOCMUOASAJKA-UHFFFAOYSA-N |
| Molecular Weight | 275.392 g/mol |
| SMILES | C=1(C2(CCCCC2)NCC(C)OC(C)=O)C=CC=CC1 |