| SpectraBase Compound ID | BwER2tTZXT6 |
|---|---|
| InChI | InChI=1S/C18H31NO2/c1-4-6-7-8-9-10-11-12-14-19-15-13-17(16(19)3)18(20)21-5-2/h13,15H,4-12,14H2,1-3H3 |
| InChIKey | XQDJKXBJEPREEI-UHFFFAOYSA-N |
| Mol Weight | 293.45 g/mol |
| Molecular Formula | C18H31NO2 |
| Exact Mass | 293.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7osddv2xBMI |
|---|---|
| Name | 3-(Ethoxycarbonyl)-1-decyl-2-methylpyrrole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.235479240 u |
| Formula | C18H31NO2 |
| InChI | InChI=1S/C18H31NO2/c1-4-6-7-8-9-10-11-12-14-19-15-13-17(16(19)3)18(20)21-5-2/h13,15H,4-12,14H2,1-3H3 |
| InChIKey | XQDJKXBJEPREEI-UHFFFAOYSA-N |
| SMILES | C1(=C(N(CCCCCCCCCC)C=C1)C)C(=O)OCC |